1:-use_module(library(pascal)). 2
3:- if(current_predicate(use_rendering/1)). 4:- use_rendering(c3). 5:- use_rendering(pic). 6:- endif. 7
8greaterAct(_,A,B):-
9 activity(_,A),
10 activity(_,B),
11 A>=B.
12
13:-pascal. 14
15:-set_pascal(examples,keys(active)). 16:-set_pascal(default_parameters,0). 17:-set_pascal(learning_algorithm,gradient_descent). 18:-set_pascal(learning_rate,fixed(0.5)). 19:-set_pascal(regularizing_constant,5). 20:-set_pascal(regularization,2). 21
22:-set_pascal(gd_iter,1000). 23:-set_pascal(fixed_parameters,no). 26:-set_pascal(epsilon,0.0001). 27:-set_pascal(epsilon_fraction,0.0001). 28:-set_pascal(max_length,8). 29:-set_pascal(max_lengths,[1,1,1,1]). 30:-set_pascal(max_nodes,3).
31:-set_pascal(beamsize,2). 32:-set_pascal(max_rules,8). 33
34:- begin_in. 35
42rule(([]:-[activity(_46), greaterAct(_46, 0.195)]), 0.5).
43rule(([]:-[activity(_92), greaterAct(_92, 0.104)]), 0.5).
44rule(([]:-[activity(_138), greaterAct(_138, 0.1)]), 0.5).
45
46:- end_in. 47
48fold(train,[27,108,60,77,28,92,95,122,
49 50,91,68,183,67,7,65,131,141,182,
50 74,112,37,54,75,129,80,116,87,81,84,180]).
51
52
53fold(test,[25,26,17,121,16,114,69,134,100,55]).
54
55
56%modeb(1,greaterAct(+act,#act)).
57%modeb(1,p1_flex(-flex)).
58
59modeb(*,activity(-#actf)).
60
61modeb(*,p1_polar(-#pol)).
62modeb(*,p1_size(-#si)).
63modeb(*,p1_flex(-#fl)).
64modeb(*,p1_h_doner(-#h_d)).
65modeb(*,p1_h_acceptor(-#h_a)).
66modeb(*,p1_pi_doner(-#p_d)).
67modeb(*,p1_pi_acceptor(-#p_a)).
68modeb(*,p1_polarisable(-#polar)).
69modeb(*,p1_sigma(-#s)).
70modeb(*,p2_polar(-#pol)).
71modeb(*,p2_size(-#si)).
72modeb(*,p2_flex(-#fl)).
73modeb(*,p2_h_doner(-#h_d)).
74modeb(*,p2_h_acceptor(-#h_a)).
75modeb(*,p2_pi_doner(-#p_d)).
76modeb(*,p2_pi_acceptor(-#p_a)).
77modeb(*,p2_polarisable(-#polar)).
78modeb(*,p2_sigma(-#s)).
79modeb(*,p3_polar(-#pol)).
80modeb(*,p3_size(-#si)).
81modeb(*,p3_flex(-#fl)).
82modeb(*,p3_h_doner(-#h_d)).
83modeb(*,p3_h_acceptor(-#h_a)).
84modeb(*,p3_pi_doner(-#p_d)).
85modeb(*,p3_pi_acceptor(-#p_a)).
86modeb(*,p3_polarisable(-#polar)).
87modeb(*,p3_sigma(-#s)).
88modeb(*,p4_polar(-#pol)).
89modeb(*,p4_size(-#si)).
90modeb(*,p4_flex(-#fl)).
91modeb(*,p4_h_doner(-#h_d)).
92modeb(*,p4_h_acceptor(-#h_a)).
93modeb(*,p4_pi_doner(-#p_d)).
94modeb(*,p4_pi_acceptor(-#p_a)).
95modeb(*,p4_polarisable(-#polar)).
96modeb(*,p4_sigma(-#s)).
97modeb(*,p5_polar(-#pol)).
98modeb(*,p5_size(-#si)).
99modeb(*,p5_flex(-#fl)).
100modeb(*,p5_h_doner(-#h_d)).
101modeb(*,p5_h_acceptor(-#h_a)).
102modeb(*,p5_pi_doner(-#p_d)).
103modeb(*,p5_pi_acceptor(-#p_a)).
104modeb(*,p5_polarisable(-#polar)).
105modeb(*,p5_sigma(-#s)).
106modeb(*,p6_polar(-#pol)).
107modeb(*,p6_size(-#si)).
108modeb(*,p6_flex(-#fl)).
109modeb(*,p6_h_doner(-#h_d)).
110modeb(*,p6_h_acceptor(-#h_a)).
111modeb(*,p6_pi_doner(-#p_d)).
112modeb(*,p6_pi_acceptor(-#p_a)).
113modeb(*,p6_polarisable(-#polar)).
114modeb(*,p6_sigma(-#s)).
115
116modeh(*,activity(-#actf)).
117
118modeh(*,p1_polar(-#pol)).
119modeh(*,p1_size(-#si)).
120modeh(*,p1_flex(-#fl)).
121modeh(*,p1_h_doner(-#h_d)).
122modeh(*,p1_h_acceptor(-#h_a)).
123modeh(*,p1_pi_doner(-#p_d)).
124modeh(*,p1_pi_acceptor(-#p_a)).
125modeh(*,p1_polarisable(-#polar)).
126modeh(*,p1_sigma(-#s)).
127modeh(*,p2_polar(-#pol)).
128modeh(*,p2_size(-#si)).
129modeh(*,p2_flex(-#fl)).
130modeh(*,p2_h_doner(-#h_d)).
131modeh(*,p2_h_acceptor(-#h_a)).
132modeh(*,p2_pi_doner(-#p_d)).
133modeh(*,p2_pi_acceptor(-#p_a)).
134modeh(*,p2_polarisable(-#polar)).
135modeh(*,p2_sigma(-#s)).
136modeh(*,p3_polar(-#pol)).
137modeh(*,p3_size(-#si)).
138modeh(*,p3_flex(-#fl)).
139modeh(*,p3_h_doner(-#h_d)).
140modeh(*,p3_h_acceptor(-#h_a)).
141modeh(*,p3_pi_doner(-#p_d)).
142modeh(*,p3_pi_acceptor(-#p_a)).
143modeh(*,p3_polarisable(-#polar)).
144modeh(*,p3_sigma(-#s)).
145modeh(*,p4_polar(-#pol)).
146modeh(*,p4_size(-#si)).
147modeh(*,p4_flex(-#fl)).
148modeh(*,p4_h_doner(-#h_d)).
149modeh(*,p4_h_acceptor(-#h_a)).
150modeh(*,p4_pi_doner(-#p_d)).
151modeh(*,p4_pi_acceptor(-#p_a)).
152modeh(*,p4_polarisable(-#polar)).
153modeh(*,p4_sigma(-#s)).
154modeh(*,p5_polar(-#pol)).
155modeh(*,p5_size(-#si)).
156modeh(*,p5_flex(-#fl)).
157modeh(*,p5_h_doner(-#h_d)).
158modeh(*,p5_h_acceptor(-#h_a)).
159modeh(*,p5_pi_doner(-#p_d)).
160modeh(*,p5_pi_acceptor(-#p_a)).
161modeh(*,p5_polarisable(-#polar)).
162modeh(*,p5_sigma(-#s)).
163modeh(*,p6_polar(-#pol)).
164modeh(*,p6_size(-#si)).
165modeh(*,p6_flex(-#fl)).
166modeh(*,p6_h_doner(-#h_d)).
167modeh(*,p6_h_acceptor(-#h_a)).
168modeh(*,p6_pi_doner(-#p_d)).
169modeh(*,p6_pi_acceptor(-#p_a)).
170modeh(*,p6_polarisable(-#polar)).
171modeh(*,p6_sigma(-#s)).
172
173
174active(25,neg).
175active(26,neg).
176active(17,neg).
177active(121,neg).
178active(16,neg).
179
180active(27,neg).
181active(108,neg).
182active(60,neg).
183active(77,neg).
184active(28,neg).
185active(92,neg).
186active(95,neg).
187active(122,neg).
188active(50,neg).
189active(91,neg).
190active(68,neg).
191active(183,neg).
192active(67,neg).
193active(7,neg).
194active(65,neg).
195
196active(114,pos).
197active(69,pos).
198active(134,pos).
199active(100,pos).
200active(55,pos).
201
202active(131,pos).
203active(141,pos).
204active(182,pos).
205active(74,pos).
206active(112,pos).
207active(37,pos).
208active(54,pos).
209active(75,pos).
210active(129,pos).
211active(80,pos).
212active(116,pos).
213active(87,pos).
214active(81,pos).
215active(84,pos).
216active(180,pos).
217
218p1_flex(1,0.1).
219p1_pi_doner(1,0.1).
220p1_polar(1,0.1).
221p1_h_doner(1,0.1).
222p1_h_acceptor(1,0.1).
223p1_size(1,0.1).
224p1_pi_acceptor(1,0.1).
225p1_branch(1,0.1).
226p1_sigma(1,0.1).
227p1_polarisable(1,0.1).
228p1_flex(2,0.1).
229p1_pi_doner(2,0.1).
230p1_polar(2,0.1).
231p1_h_doner(2,0.1).
232p1_h_acceptor(2,0.1).
233p1_size(2,0.1).
234p1_pi_acceptor(2,0.1).
235p1_branch(2,0.1).
236p1_sigma(2,0.1).
237p1_polarisable(2,0.1).
238p1_flex(3,0.1).
239p1_pi_doner(3,0.1).
240p1_polar(3,0.1).
241p1_h_doner(3,0.1).
242p1_h_acceptor(3,0.1).
243p1_size(3,0.1).
244p1_pi_acceptor(3,0.1).
245p1_branch(3,0.1).
246p1_sigma(3,0.1).
247p1_polarisable(3,0.1).
248p1_flex(4,0.1).
249p1_pi_doner(4,0.1).
250p1_polar(4,0.1).
251p1_h_doner(4,0.1).
252p1_h_acceptor(4,0.1).
253p1_size(4,0.1).
254p1_pi_acceptor(4,0.1).
255p1_branch(4,0.1).
256p1_sigma(4,0.1).
257p1_polarisable(4,0.1).
258p1_flex(5,0.1).
259p1_pi_doner(5,0.1).
260p1_polar(5,0.1).
261p1_h_doner(5,0.1).
262p1_h_acceptor(5,0.1).
263p1_size(5,0.1).
264p1_pi_acceptor(5,0.1).
265p1_branch(5,0.1).
266p1_sigma(5,0.1).
267p1_polarisable(5,0.1).
268p1_flex(6,0.1).
269p1_pi_doner(6,0.1).
270p1_polar(6,0.1).
271p1_h_doner(6,0.1).
272p1_h_acceptor(6,0.1).
273p1_size(6,0.1).
274p1_pi_acceptor(6,0.1).
275p1_branch(6,0.1).
276p1_sigma(6,0.1).
277p1_polarisable(6,0.1).
278p1_flex(7,0.1).
279p1_pi_doner(7,0.1).
280p1_polar(7,0.1).
281p1_h_doner(7,0.1).
282p1_h_acceptor(7,0.1).
283p1_size(7,0.1).
284p1_pi_acceptor(7,0.1).
285p1_branch(7,0.1).
286p1_sigma(7,0.1).
287p1_polarisable(7,0.1).
288p1_flex(8,0.1).
289p1_pi_doner(8,0.1).
290p1_polar(8,0.1).
291p1_h_doner(8,0.1).
292p1_h_acceptor(8,0.1).
293p1_size(8,0.1).
294p1_pi_acceptor(8,0.1).
295p1_branch(8,0.1).
296p1_sigma(8,0.1).
297p1_polarisable(8,0.1).
298p1_flex(9,0.1).
299p1_pi_doner(9,0.1).
300p1_polar(9,0.1).
301p1_h_doner(9,0.1).
302p1_h_acceptor(9,0.1).
303p1_size(9,0.1).
304p1_pi_acceptor(9,0.1).
305p1_branch(9,0.1).
306p1_sigma(9,0.1).
307p1_polarisable(9,0.1).
308p1_flex(10,0.1).
309p1_pi_doner(10,0.1).
310p1_polar(10,0.1).
311p1_h_doner(10,0.1).
312p1_h_acceptor(10,0.1).
313p1_size(10,0.1).
314p1_pi_acceptor(10,0.1).
315p1_branch(10,0.1).
316p1_sigma(10,0.1).
317p1_polarisable(10,0.1).
318p1_flex(11,0.1).
319p1_pi_doner(11,0.1).
320p1_polar(11,0.1).
321p1_h_doner(11,0.1).
322p1_h_acceptor(11,0.1).
323p1_size(11,0.1).
324p1_pi_acceptor(11,0.1).
325p1_branch(11,0.1).
326p1_sigma(11,0.1).
327p1_polarisable(11,0.1).
328p1_flex(12,0.1).
329p1_pi_doner(12,0.1).
330p1_polar(12,0.1).
331p1_h_doner(12,0.1).
332p1_h_acceptor(12,0.1).
333p1_size(12,0.1).
334p1_pi_acceptor(12,0.1).
335p1_branch(12,0.1).
336p1_sigma(12,0.1).
337p1_polarisable(12,0.1).
338p1_flex(13,0.1).
339p1_pi_doner(13,0.1).
340p1_polar(13,0.1).
341p1_h_doner(13,0.1).
342p1_h_acceptor(13,0.1).
343p1_size(13,0.1).
344p1_pi_acceptor(13,0.1).
345p1_branch(13,0.1).
346p1_sigma(13,0.1).
347p1_polarisable(13,0.1).
348p1_flex(14,0.1).
349p1_pi_doner(14,0.1).
350p1_polar(14,0.1).
351p1_h_doner(14,0.1).
352p1_h_acceptor(14,0.1).
353p1_size(14,0.1).
354p1_pi_acceptor(14,0.1).
355p1_branch(14,0.1).
356p1_sigma(14,0.1).
357p1_polarisable(14,0.1).
358p1_flex(15,0.1).
359p1_pi_doner(15,0.1).
360p1_polar(15,0.1).
361p1_h_doner(15,0.1).
362p1_h_acceptor(15,0.1).
363p1_size(15,0.1).
364p1_pi_acceptor(15,0.1).
365p1_branch(15,0.1).
366p1_sigma(15,0.1).
367p1_polarisable(15,0.1).
368p1_flex(16,0.1).
369p1_pi_doner(16,0.1).
370p1_polar(16,0.1).
371p1_h_doner(16,0.1).
372p1_h_acceptor(16,0.1).
373p1_size(16,0.1).
374p1_pi_acceptor(16,0.1).
375p1_branch(16,0.1).
376p1_sigma(16,0.1).
377p1_polarisable(16,0.1).
378p1_flex(17,0.1).
379p1_pi_doner(17,0.1).
380p1_polar(17,0.26).
381p1_h_doner(17,0.1).
382p1_h_acceptor(17,0.1).
383p1_size(17,0.1).
384p1_pi_acceptor(17,0.1).
385p1_branch(17,0.1).
386p1_sigma(17,0.1).
387p1_polarisable(17,0.1).
388p1_flex(18,0.1).
389p1_pi_doner(18,0.1).
390p1_polar(18,0.26).
391p1_h_doner(18,0.1).
392p1_h_acceptor(18,0.1).
393p1_size(18,0.1).
394p1_pi_acceptor(18,0.1).
395p1_branch(18,0.1).
396p1_sigma(18,0.1).
397p1_polarisable(18,0.1).
398p1_flex(19,0.1).
399p1_pi_doner(19,0.1).
400p1_polar(19,0.26).
401p1_h_doner(19,0.1).
402p1_h_acceptor(19,0.1).
403p1_size(19,0.1).
404p1_pi_acceptor(19,0.1).
405p1_branch(19,0.1).
406p1_sigma(19,0.1).
407p1_polarisable(19,0.1).
408p1_flex(20,0.1).
409p1_pi_doner(20,0.1).
410p1_polar(20,0.26).
411p1_h_doner(20,0.1).
412p1_h_acceptor(20,0.1).
413p1_size(20,0.1).
414p1_pi_acceptor(20,0.1).
415p1_branch(20,0.1).
416p1_sigma(20,0.1).
417p1_polarisable(20,0.1).
418p1_flex(21,0.1).
419p1_pi_doner(21,0.1).
420p1_polar(21,0.26).
421p1_h_doner(21,0.1).
422p1_h_acceptor(21,0.1).
423p1_size(21,0.1).
424p1_pi_acceptor(21,0.1).
425p1_branch(21,0.1).
426p1_sigma(21,0.1).
427p1_polarisable(21,0.1).
428p1_flex(22,0.1).
429p1_pi_doner(22,0.1).
430p1_polar(22,0.26).
431p1_h_doner(22,0.1).
432p1_h_acceptor(22,0.1).
433p1_size(22,0.1).
434p1_pi_acceptor(22,0.1).
435p1_branch(22,0.1).
436p1_sigma(22,0.1).
437p1_polarisable(22,0.1).
438p1_flex(23,0.1).
439p1_pi_doner(23,0.1).
440p1_polar(23,0.26).
441p1_h_doner(23,0.1).
442p1_h_acceptor(23,0.1).
443p1_size(23,0.1).
444p1_pi_acceptor(23,0.1).
445p1_branch(23,0.1).
446p1_sigma(23,0.1).
447p1_polarisable(23,0.1).
448p1_flex(24,0.1).
449p1_pi_doner(24,0.1).
450p1_polar(24,0.26).
451p1_h_doner(24,0.1).
452p1_h_acceptor(24,0.1).
453p1_size(24,0.1).
454p1_pi_acceptor(24,0.1).
455p1_branch(24,0.1).
456p1_sigma(24,0.1).
457p1_polarisable(24,0.1).
458p1_flex(25,0.1).
459p1_pi_doner(25,0.1).
460p1_polar(25,0.26).
461p1_h_doner(25,0.1).
462p1_h_acceptor(25,0.1).
463p1_size(25,0.1).
464p1_pi_acceptor(25,0.1).
465p1_branch(25,0.1).
466p1_sigma(25,0.1).
467p1_polarisable(25,0.1).
468p1_flex(26,0.1).
469p1_pi_doner(26,0.1).
470p1_polar(26,0.26).
471p1_h_doner(26,0.1).
472p1_h_acceptor(26,0.1).
473p1_size(26,0.1).
474p1_pi_acceptor(26,0.1).
475p1_branch(26,0.1).
476p1_sigma(26,0.1).
477p1_polarisable(26,0.1).
478p1_flex(27,0.1).
479p1_pi_doner(27,0.1).
480p1_polar(27,0.26).
481p1_h_doner(27,0.1).
482p1_h_acceptor(27,0.1).
483p1_size(27,0.1).
484p1_pi_acceptor(27,0.1).
485p1_branch(27,0.1).
486p1_sigma(27,0.1).
487p1_polarisable(27,0.1).
488p1_flex(28,0.1).
489p1_pi_doner(28,0.1).
490p1_polar(28,0.26).
491p1_h_doner(28,0.1).
492p1_h_acceptor(28,0.1).
493p1_size(28,0.1).
494p1_pi_acceptor(28,0.1).
495p1_branch(28,0.1).
496p1_sigma(28,0.1).
497p1_polarisable(28,0.1).
498p1_flex(29,0.1).
499p1_pi_doner(29,0.1).
500p1_polar(29,0.26).
501p1_h_doner(29,0.1).
502p1_h_acceptor(29,0.1).
503p1_size(29,0.1).
504p1_pi_acceptor(29,0.1).
505p1_branch(29,0.1).
506p1_sigma(29,0.1).
507p1_polarisable(29,0.1).
508p1_flex(30,0.1).
509p1_pi_doner(30,0.1).
510p1_polar(30,0.26).
511p1_h_doner(30,0.1).
512p1_h_acceptor(30,0.1).
513p1_size(30,0.1).
514p1_pi_acceptor(30,0.1).
515p1_branch(30,0.1).
516p1_sigma(30,0.1).
517p1_polarisable(30,0.1).
518p1_flex(31,0.1).
519p1_pi_doner(31,0.1).
520p1_polar(31,0.26).
521p1_h_doner(31,0.1).
522p1_h_acceptor(31,0.1).
523p1_size(31,0.1).
524p1_pi_acceptor(31,0.1).
525p1_branch(31,0.1).
526p1_sigma(31,0.1).
527p1_polarisable(31,0.1).
528p1_flex(32,0.1).
529p1_pi_doner(32,0.1).
530p1_polar(32,0.26).
531p1_h_doner(32,0.1).
532p1_h_acceptor(32,0.1).
533p1_size(32,0.1).
534p1_pi_acceptor(32,0.1).
535p1_branch(32,0.1).
536p1_sigma(32,0.1).
537p1_polarisable(32,0.1).
538p1_flex(33,0.1).
539p1_pi_doner(33,0.1).
540p1_polar(33,0.26).
541p1_h_doner(33,0.1).
542p1_h_acceptor(33,0.1).
543p1_size(33,0.1).
544p1_pi_acceptor(33,0.1).
545p1_branch(33,0.1).
546p1_sigma(33,0.1).
547p1_polarisable(33,0.1).
548p1_flex(34,0.1).
549p1_pi_doner(34,0.1).
550p1_polar(34,0.26).
551p1_h_doner(34,0.1).
552p1_h_acceptor(34,0.1).
553p1_size(34,0.1).
554p1_pi_acceptor(34,0.1).
555p1_branch(34,0.1).
556p1_sigma(34,0.1).
557p1_polarisable(34,0.1).
558p1_flex(35,0.1).
559p1_pi_doner(35,0.1).
560p1_polar(35,0.26).
561p1_h_doner(35,0.1).
562p1_h_acceptor(35,0.1).
563p1_size(35,0.1).
564p1_pi_acceptor(35,0.1).
565p1_branch(35,0.1).
566p1_sigma(35,0.1).
567p1_polarisable(35,0.1).
568p1_flex(36,0.1).
569p1_pi_doner(36,0.1).
570p1_polar(36,0.26).
571p1_h_doner(36,0.1).
572p1_h_acceptor(36,0.1).
573p1_size(36,0.1).
574p1_pi_acceptor(36,0.1).
575p1_branch(36,0.1).
576p1_sigma(36,0.1).
577p1_polarisable(36,0.1).
578p1_flex(37,0.1).
579p1_pi_doner(37,0.1).
580p1_polar(37,0.26).
581p1_h_doner(37,0.1).
582p1_h_acceptor(37,0.1).
583p1_size(37,0.1).
584p1_pi_acceptor(37,0.1).
585p1_branch(37,0.1).
586p1_sigma(37,0.1).
587p1_polarisable(37,0.1).
588p1_flex(38,0.1).
589p1_pi_doner(38,0.1).
590p1_polar(38,0.26).
591p1_h_doner(38,0.1).
592p1_h_acceptor(38,0.1).
593p1_size(38,0.1).
594p1_pi_acceptor(38,0.1).
595p1_branch(38,0.1).
596p1_sigma(38,0.1).
597p1_polarisable(38,0.1).
598p1_flex(39,0.1).
599p1_pi_doner(39,0.1).
600p1_polar(39,0.26).
601p1_h_doner(39,0.1).
602p1_h_acceptor(39,0.1).
603p1_size(39,0.1).
604p1_pi_acceptor(39,0.1).
605p1_branch(39,0.1).
606p1_sigma(39,0.1).
607p1_polarisable(39,0.1).
608p1_flex(40,0.1).
609p1_pi_doner(40,0.1).
610p1_polar(40,0.26).
611p1_h_doner(40,0.1).
612p1_h_acceptor(40,0.1).
613p1_size(40,0.1).
614p1_pi_acceptor(40,0.1).
615p1_branch(40,0.1).
616p1_sigma(40,0.1).
617p1_polarisable(40,0.1).
618p1_flex(41,0.1).
619p1_pi_doner(41,0.1).
620p1_polar(41,0.26).
621p1_h_doner(41,0.1).
622p1_h_acceptor(41,0.1).
623p1_size(41,0.1).
624p1_pi_acceptor(41,0.1).
625p1_branch(41,0.1).
626p1_sigma(41,0.1).
627p1_polarisable(41,0.1).
628p1_flex(42,0.1).
629p1_pi_doner(42,0.1).
630p1_polar(42,0.26).
631p1_h_doner(42,0.1).
632p1_h_acceptor(42,0.1).
633p1_size(42,0.1).
634p1_pi_acceptor(42,0.1).
635p1_branch(42,0.1).
636p1_sigma(42,0.1).
637p1_polarisable(42,0.1).
638p1_flex(43,0.1).
639p1_pi_doner(43,0.1).
640p1_polar(43,0.26).
641p1_h_doner(43,0.1).
642p1_h_acceptor(43,0.1).
643p1_size(43,0.1).
644p1_pi_acceptor(43,0.1).
645p1_branch(43,0.1).
646p1_sigma(43,0.1).
647p1_polarisable(43,0.1).
648p1_flex(44,0.1).
649p1_pi_doner(44,0.1).
650p1_polar(44,0.26).
651p1_h_doner(44,0.1).
652p1_h_acceptor(44,0.1).
653p1_size(44,0.1).
654p1_pi_acceptor(44,0.1).
655p1_branch(44,0.1).
656p1_sigma(44,0.1).
657p1_polarisable(44,0.1).
658p1_flex(45,0.1).
659p1_pi_doner(45,0.1).
660p1_polar(45,0.26).
661p1_h_doner(45,0.1).
662p1_h_acceptor(45,0.1).
663p1_size(45,0.1).
664p1_pi_acceptor(45,0.1).
665p1_branch(45,0.1).
666p1_sigma(45,0.1).
667p1_polarisable(45,0.1).
668p1_flex(46,0.1).
669p1_pi_doner(46,0.1).
670p1_polar(46,0.26).
671p1_h_doner(46,0.1).
672p1_h_acceptor(46,0.1).
673p1_size(46,0.1).
674p1_pi_acceptor(46,0.1).
675p1_branch(46,0.1).
676p1_sigma(46,0.1).
677p1_polarisable(46,0.1).
678p1_flex(47,0.1).
679p1_pi_doner(47,0.1).
680p1_polar(47,0.26).
681p1_h_doner(47,0.1).
682p1_h_acceptor(47,0.1).
683p1_size(47,0.1).
684p1_pi_acceptor(47,0.1).
685p1_branch(47,0.1).
686p1_sigma(47,0.1).
687p1_polarisable(47,0.1).
688p1_flex(48,0.1).
689p1_pi_doner(48,0.1).
690p1_polar(48,0.26).
691p1_h_doner(48,0.1).
692p1_h_acceptor(48,0.1).
693p1_size(48,0.1).
694p1_pi_acceptor(48,0.1).
695p1_branch(48,0.1).
696p1_sigma(48,0.1).
697p1_polarisable(48,0.1).
698p1_flex(49,0.1).
699p1_pi_doner(49,0.1).
700p1_polar(49,0.26).
701p1_h_doner(49,0.1).
702p1_h_acceptor(49,0.1).
703p1_size(49,0.1).
704p1_pi_acceptor(49,0.1).
705p1_branch(49,0.1).
706p1_sigma(49,0.1).
707p1_polarisable(49,0.1).
708p1_flex(50,0.1).
709p1_pi_doner(50,0.1).
710p1_polar(50,0.26).
711p1_h_doner(50,0.1).
712p1_h_acceptor(50,0.1).
713p1_size(50,0.1).
714p1_pi_acceptor(50,0.1).
715p1_branch(50,0.1).
716p1_sigma(50,0.1).
717p1_polarisable(50,0.1).
718p1_flex(51,0.1).
719p1_pi_doner(51,0.1).
720p1_polar(51,0.26).
721p1_h_doner(51,0.1).
722p1_h_acceptor(51,0.1).
723p1_size(51,0.1).
724p1_pi_acceptor(51,0.1).
725p1_branch(51,0.1).
726p1_sigma(51,0.1).
727p1_polarisable(51,0.1).
728p1_flex(52,0.1).
729p1_pi_doner(52,0.1).
730p1_polar(52,0.26).
731p1_h_doner(52,0.1).
732p1_h_acceptor(52,0.1).
733p1_size(52,0.1).
734p1_pi_acceptor(52,0.1).
735p1_branch(52,0.1).
736p1_sigma(52,0.1).
737p1_polarisable(52,0.1).
738p1_flex(53,0.1).
739p1_pi_doner(53,0.1).
740p1_polar(53,0.26).
741p1_h_doner(53,0.1).
742p1_h_acceptor(53,0.1).
743p1_size(53,0.1).
744p1_pi_acceptor(53,0.1).
745p1_branch(53,0.1).
746p1_sigma(53,0.1).
747p1_polarisable(53,0.1).
748p1_flex(54,0.1).
749p1_pi_doner(54,0.1).
750p1_polar(54,0.26).
751p1_h_doner(54,0.1).
752p1_h_acceptor(54,0.1).
753p1_size(54,0.1).
754p1_pi_acceptor(54,0.1).
755p1_branch(54,0.1).
756p1_sigma(54,0.1).
757p1_polarisable(54,0.1).
758p1_flex(55,0.1).
759p1_pi_doner(55,0.1).
760p1_polar(55,0.26).
761p1_h_doner(55,0.1).
762p1_h_acceptor(55,0.1).
763p1_size(55,0.1).
764p1_pi_acceptor(55,0.1).
765p1_branch(55,0.1).
766p1_sigma(55,0.1).
767p1_polarisable(55,0.1).
768p1_flex(56,0.1).
769p1_pi_doner(56,0.1).
770p1_polar(56,0.26).
771p1_h_doner(56,0.1).
772p1_h_acceptor(56,0.1).
773p1_size(56,0.1).
774p1_pi_acceptor(56,0.1).
775p1_branch(56,0.1).
776p1_sigma(56,0.1).
777p1_polarisable(56,0.1).
778p1_flex(57,0.1).
779p1_pi_doner(57,0.1).
780p1_polar(57,0.26).
781p1_h_doner(57,0.1).
782p1_h_acceptor(57,0.1).
783p1_size(57,0.1).
784p1_pi_acceptor(57,0.1).
785p1_branch(57,0.1).
786p1_sigma(57,0.1).
787p1_polarisable(57,0.1).
788p1_flex(58,0.1).
789p1_pi_doner(58,0.1).
790p1_polar(58,0.26).
791p1_h_doner(58,0.1).
792p1_h_acceptor(58,0.1).
793p1_size(58,0.1).
794p1_pi_acceptor(58,0.1).
795p1_branch(58,0.1).
796p1_sigma(58,0.1).
797p1_polarisable(58,0.1).
798p1_flex(59,0.1).
799p1_pi_doner(59,0.1).
800p1_polar(59,0.26).
801p1_h_doner(59,0.1).
802p1_h_acceptor(59,0.1).
803p1_size(59,0.1).
804p1_pi_acceptor(59,0.1).
805p1_branch(59,0.1).
806p1_sigma(59,0.1).
807p1_polarisable(59,0.1).
808p1_flex(60,0.1).
809p1_pi_doner(60,0.1).
810p1_polar(60,0.26).
811p1_h_doner(60,0.1).
812p1_h_acceptor(60,0.1).
813p1_size(60,0.1).
814p1_pi_acceptor(60,0.1).
815p1_branch(60,0.1).
816p1_sigma(60,0.1).
817p1_polarisable(60,0.1).
818p1_flex(61,0.1).
819p1_pi_doner(61,0.1).
820p1_polar(61,0.26).
821p1_h_doner(61,0.1).
822p1_h_acceptor(61,0.1).
823p1_size(61,0.1).
824p1_pi_acceptor(61,0.1).
825p1_branch(61,0.1).
826p1_sigma(61,0.1).
827p1_polarisable(61,0.1).
828p1_flex(62,0.1).
829p1_pi_doner(62,0.1).
830p1_polar(62,0.26).
831p1_h_doner(62,0.1).
832p1_h_acceptor(62,0.1).
833p1_size(62,0.1).
834p1_pi_acceptor(62,0.1).
835p1_branch(62,0.1).
836p1_sigma(62,0.1).
837p1_polarisable(62,0.1).
838p1_flex(63,0.1).
839p1_pi_doner(63,0.1).
840p1_polar(63,0.26).
841p1_h_doner(63,0.1).
842p1_h_acceptor(63,0.1).
843p1_size(63,0.1).
844p1_pi_acceptor(63,0.1).
845p1_branch(63,0.1).
846p1_sigma(63,0.1).
847p1_polarisable(63,0.1).
848p1_flex(64,0.1).
849p1_pi_doner(64,0.1).
850p1_polar(64,0.26).
851p1_h_doner(64,0.1).
852p1_h_acceptor(64,0.1).
853p1_size(64,0.1).
854p1_pi_acceptor(64,0.1).
855p1_branch(64,0.1).
856p1_sigma(64,0.1).
857p1_polarisable(64,0.1).
858p1_flex(65,0.1).
859p1_pi_doner(65,0.1).
860p1_polar(65,0.26).
861p1_h_doner(65,0.1).
862p1_h_acceptor(65,0.1).
863p1_size(65,0.1).
864p1_pi_acceptor(65,0.1).
865p1_branch(65,0.1).
866p1_sigma(65,0.1).
867p1_polarisable(65,0.1).
868p1_flex(66,0.1).
869p1_pi_doner(66,0.1).
870p1_polar(66,0.26).
871p1_h_doner(66,0.1).
872p1_h_acceptor(66,0.1).
873p1_size(66,0.1).
874p1_pi_acceptor(66,0.1).
875p1_branch(66,0.1).
876p1_sigma(66,0.1).
877p1_polarisable(66,0.1).
878p1_flex(67,0.1).
879p1_pi_doner(67,0.1).
880p1_polar(67,0.26).
881p1_h_doner(67,0.1).
882p1_h_acceptor(67,0.1).
883p1_size(67,0.1).
884p1_pi_acceptor(67,0.1).
885p1_branch(67,0.1).
886p1_sigma(67,0.1).
887p1_polarisable(67,0.1).
888p1_flex(68,0.1).
889p1_pi_doner(68,0.1).
890p1_polar(68,0.26).
891p1_h_doner(68,0.1).
892p1_h_acceptor(68,0.1).
893p1_size(68,0.1).
894p1_pi_acceptor(68,0.1).
895p1_branch(68,0.1).
896p1_sigma(68,0.1).
897p1_polarisable(68,0.1).
898p1_flex(69,0.1).
899p1_pi_doner(69,0.1).
900p1_polar(69,0.26).
901p1_h_doner(69,0.1).
902p1_h_acceptor(69,0.1).
903p1_size(69,0.1).
904p1_pi_acceptor(69,0.1).
905p1_branch(69,0.1).
906p1_sigma(69,0.1).
907p1_polarisable(69,0.1).
908p1_flex(70,0.1).
909p1_pi_doner(70,0.1).
910p1_polar(70,0.26).
911p1_h_doner(70,0.1).
912p1_h_acceptor(70,0.1).
913p1_size(70,0.1).
914p1_pi_acceptor(70,0.1).
915p1_branch(70,0.1).
916p1_sigma(70,0.1).
917p1_polarisable(70,0.1).
918p1_flex(71,0.1).
919p1_pi_doner(71,0.1).
920p1_polar(71,0.26).
921p1_h_doner(71,0.1).
922p1_h_acceptor(71,0.1).
923p1_size(71,0.1).
924p1_pi_acceptor(71,0.1).
925p1_branch(71,0.1).
926p1_sigma(71,0.1).
927p1_polarisable(71,0.1).
928p1_flex(72,0.1).
929p1_pi_doner(72,0.1).
930p1_polar(72,0.26).
931p1_h_doner(72,0.1).
932p1_h_acceptor(72,0.1).
933p1_size(72,0.1).
934p1_pi_acceptor(72,0.1).
935p1_branch(72,0.1).
936p1_sigma(72,0.1).
937p1_polarisable(72,0.1).
938p1_flex(73,0.1).
939p1_pi_doner(73,0.1).
940p1_polar(73,0.26).
941p1_h_doner(73,0.1).
942p1_h_acceptor(73,0.1).
943p1_size(73,0.233).
944p1_pi_acceptor(73,0.1).
945p1_branch(73,0.1).
946p1_sigma(73,0.1).
947p1_polarisable(73,0.5).
948p1_flex(74,0.367).
949p1_pi_doner(74,0.1).
950p1_polar(74,0.26).
951p1_h_doner(74,0.1).
952p1_h_acceptor(74,0.1).
953p1_size(74,0.367).
954p1_pi_acceptor(74,0.1).
955p1_branch(74,0.1).
956p1_sigma(74,0.1).
957p1_polarisable(74,0.5).
958p1_flex(75,0.367).
959p1_pi_doner(75,0.1).
960p1_polar(75,0.26).
961p1_h_doner(75,0.1).
962p1_h_acceptor(75,0.1).
963p1_size(75,0.367).
964p1_pi_acceptor(75,0.1).
965p1_branch(75,0.1).
966p1_sigma(75,0.1).
967p1_polarisable(75,0.5).
968p1_flex(76,0.367).
969p1_pi_doner(76,0.1).
970p1_polar(76,0.26).
971p1_h_doner(76,0.1).
972p1_h_acceptor(76,0.1).
973p1_size(76,0.367).
974p1_pi_acceptor(76,0.1).
975p1_branch(76,0.1).
976p1_sigma(76,0.1).
977p1_polarisable(76,0.5).
978p1_flex(77,0.367).
979p1_pi_doner(77,0.1).
980p1_polar(77,0.26).
981p1_h_doner(77,0.1).
982p1_h_acceptor(77,0.1).
983p1_size(77,0.367).
984p1_pi_acceptor(77,0.1).
985p1_branch(77,0.1).
986p1_sigma(77,0.1).
987p1_polarisable(77,0.5).
988p1_flex(78,0.5).
989p1_pi_doner(78,0.1).
990p1_polar(78,0.26).
991p1_h_doner(78,0.1).
992p1_h_acceptor(78,0.367).
993p1_size(78,0.5).
994p1_pi_acceptor(78,0.1).
995p1_branch(78,0.5).
996p1_sigma(78,0.1).
997p1_polarisable(78,0.5).
998p1_flex(79,0.367).
999p1_pi_doner(79,0.1).
1000p1_polar(79,0.26).
1001p1_h_doner(79,0.1).
1002p1_h_acceptor(79,0.367).
1003p1_size(79,0.633).
1004p1_pi_acceptor(79,0.1).
1005p1_branch(79,0.9).
1006p1_sigma(79,0.1).
1007p1_polarisable(79,0.5).
1008p1_flex(80,0.633).
1009p1_pi_doner(80,0.1).
1010p1_polar(80,0.26).
1011p1_h_doner(80,0.1).
1012p1_h_acceptor(80,0.1).
1013p1_size(80,0.633).
1014p1_pi_acceptor(80,0.1).
1015p1_branch(80,0.1).
1016p1_sigma(80,0.1).
1017p1_polarisable(80,0.5).
1018p1_flex(81,0.633).
1019p1_pi_doner(81,0.1).
1020p1_polar(81,0.26).
1021p1_h_doner(81,0.1).
1022p1_h_acceptor(81,0.1).
1023p1_size(81,0.633).
1024p1_pi_acceptor(81,0.1).
1025p1_branch(81,0.1).
1026p1_sigma(81,0.1).
1027p1_polarisable(81,0.5).
1028p1_flex(82,0.633).
1029p1_pi_doner(82,0.1).
1030p1_polar(82,0.26).
1031p1_h_doner(82,0.1).
1032p1_h_acceptor(82,0.1).
1033p1_size(82,0.633).
1034p1_pi_acceptor(82,0.1).
1035p1_branch(82,0.1).
1036p1_sigma(82,0.1).
1037p1_polarisable(82,0.5).
1038p1_flex(83,0.633).
1039p1_pi_doner(83,0.1).
1040p1_polar(83,0.26).
1041p1_h_doner(83,0.1).
1042p1_h_acceptor(83,0.1).
1043p1_size(83,0.633).
1044p1_pi_acceptor(83,0.1).
1045p1_branch(83,0.1).
1046p1_sigma(83,0.1).
1047p1_polarisable(83,0.5).
1048p1_flex(84,0.633).
1049p1_pi_doner(84,0.1).
1050p1_polar(84,0.26).
1051p1_h_doner(84,0.1).
1052p1_h_acceptor(84,0.1).
1053p1_size(84,0.633).
1054p1_pi_acceptor(84,0.1).
1055p1_branch(84,0.1).
1056p1_sigma(84,0.1).
1057p1_polarisable(84,0.5).
1058p1_flex(85,0.633).
1059p1_pi_doner(85,0.1).
1060p1_polar(85,0.26).
1061p1_h_doner(85,0.1).
1062p1_h_acceptor(85,0.1).
1063p1_size(85,0.633).
1064p1_pi_acceptor(85,0.1).
1065p1_branch(85,0.1).
1066p1_sigma(85,0.1).
1067p1_polarisable(85,0.5).
1068p1_flex(86,0.633).
1069p1_pi_doner(86,0.1).
1070p1_polar(86,0.26).
1071p1_h_doner(86,0.1).
1072p1_h_acceptor(86,0.1).
1073p1_size(86,0.633).
1074p1_pi_acceptor(86,0.1).
1075p1_branch(86,0.1).
1076p1_sigma(86,0.1).
1077p1_polarisable(86,0.5).
1078p1_flex(87,0.633).
1079p1_pi_doner(87,0.1).
1080p1_polar(87,0.26).
1081p1_h_doner(87,0.1).
1082p1_h_acceptor(87,0.1).
1083p1_size(87,0.633).
1084p1_pi_acceptor(87,0.1).
1085p1_branch(87,0.1).
1086p1_sigma(87,0.1).
1087p1_polarisable(87,0.5).
1088p1_flex(88,0.767).
1089p1_pi_doner(88,0.1).
1090p1_polar(88,0.26).
1091p1_h_doner(88,0.1).
1092p1_h_acceptor(88,0.367).
1093p1_size(88,0.767).
1094p1_pi_acceptor(88,0.1).
1095p1_branch(88,0.5).
1096p1_sigma(88,0.1).
1097p1_polarisable(88,0.5).
1098p1_flex(89,0.9).
1099p1_pi_doner(89,0.1).
1100p1_polar(89,0.26).
1101p1_h_doner(89,0.1).
1102p1_h_acceptor(89,0.367).
1103p1_size(89,0.9).
1104p1_pi_acceptor(89,0.1).
1105p1_branch(89,0.1).
1106p1_sigma(89,0.1).
1107p1_polarisable(89,0.5).
1108p1_flex(90,0.1).
1109p1_pi_doner(90,0.1).
1110p1_polar(90,0.42).
1111p1_h_doner(90,0.1).
1112p1_h_acceptor(90,0.367).
1113p1_size(90,0.233).
1114p1_pi_acceptor(90,0.1).
1115p1_branch(90,0.1).
1116p1_sigma(90,0.367).
1117p1_polarisable(90,0.9).
1118p1_flex(91,0.1).
1119p1_pi_doner(91,0.1).
1120p1_polar(91,0.42).
1121p1_h_doner(91,0.1).
1122p1_h_acceptor(91,0.367).
1123p1_size(91,0.367).
1124p1_pi_acceptor(91,0.1).
1125p1_branch(91,0.1).
1126p1_sigma(91,0.367).
1127p1_polarisable(91,0.5).
1128p1_flex(92,0.1).
1129p1_pi_doner(92,0.5).
1130p1_polar(92,0.42).
1131p1_h_doner(92,0.5).
1132p1_h_acceptor(92,0.367).
1133p1_size(92,0.367).
1134p1_pi_acceptor(92,0.1).
1135p1_branch(92,0.9).
1136p1_sigma(92,0.367).
1137p1_polarisable(92,0.5).
1138p1_flex(93,0.1).
1139p1_pi_doner(93,0.5).
1140p1_polar(93,0.42).
1141p1_h_doner(93,0.5).
1142p1_h_acceptor(93,0.367).
1143p1_size(93,0.367).
1144p1_pi_acceptor(93,0.1).
1145p1_branch(93,0.9).
1146p1_sigma(93,0.367).
1147p1_polarisable(93,0.5).
1148p1_flex(94,0.367).
1149p1_pi_doner(94,0.1).
1150p1_polar(94,0.42).
1151p1_h_doner(94,0.1).
1152p1_h_acceptor(94,0.367).
1153p1_size(94,0.367).
1154p1_pi_acceptor(94,0.1).
1155p1_branch(94,0.1).
1156p1_sigma(94,0.1).
1157p1_polarisable(94,0.5).
1158p1_flex(95,0.233).
1159p1_pi_doner(95,0.5).
1160p1_polar(95,0.42).
1161p1_h_doner(95,0.5).
1162p1_h_acceptor(95,0.367).
1163p1_size(95,0.5).
1164p1_pi_acceptor(95,0.1).
1165p1_branch(95,0.5).
1166p1_sigma(95,0.367).
1167p1_polarisable(95,0.5).
1168p1_flex(96,0.233).
1169p1_pi_doner(96,0.5).
1170p1_polar(96,0.42).
1171p1_h_doner(96,0.5).
1172p1_h_acceptor(96,0.367).
1173p1_size(96,0.5).
1174p1_pi_acceptor(96,0.1).
1175p1_branch(96,0.5).
1176p1_sigma(96,0.367).
1177p1_polarisable(96,0.5).
1178p1_flex(97,0.367).
1179p1_pi_doner(97,0.5).
1180p1_polar(97,0.42).
1181p1_h_doner(97,0.5).
1182p1_h_acceptor(97,0.367).
1183p1_size(97,0.5).
1184p1_pi_acceptor(97,0.1).
1185p1_branch(97,0.5).
1186p1_sigma(97,0.367).
1187p1_polarisable(97,0.5).
1188p1_flex(98,0.367).
1189p1_pi_doner(98,0.5).
1190p1_polar(98,0.42).
1191p1_h_doner(98,0.5).
1192p1_h_acceptor(98,0.633).
1193p1_size(98,0.5).
1194p1_pi_acceptor(98,0.1).
1195p1_branch(98,0.5).
1196p1_sigma(98,0.367).
1197p1_polarisable(98,0.5).
1198p1_flex(99,0.367).
1199p1_pi_doner(99,0.5).
1200p1_polar(99,0.42).
1201p1_h_doner(99,0.5).
1202p1_h_acceptor(99,0.633).
1203p1_size(99,0.5).
1204p1_pi_acceptor(99,0.1).
1205p1_branch(99,0.5).
1206p1_sigma(99,0.367).
1207p1_polarisable(99,0.5).
1208p1_flex(100,0.5).
1209p1_pi_doner(100,0.1).
1210p1_polar(100,0.42).
1211p1_h_doner(100,0.1).
1212p1_h_acceptor(100,0.633).
1213p1_size(100,0.5).
1214p1_pi_acceptor(100,0.1).
1215p1_branch(100,0.1).
1216p1_sigma(100,0.367).
1217p1_polarisable(100,0.5).
1218p1_flex(101,0.5).
1219p1_pi_doner(101,0.1).
1220p1_polar(101,0.42).
1221p1_h_doner(101,0.1).
1222p1_h_acceptor(101,0.633).
1223p1_size(101,0.5).
1224p1_pi_acceptor(101,0.1).
1225p1_branch(101,0.1).
1226p1_sigma(101,0.367).
1227p1_polarisable(101,0.5).
1228p1_flex(102,0.5).
1229p1_pi_doner(102,0.1).
1230p1_polar(102,0.42).
1231p1_h_doner(102,0.1).
1232p1_h_acceptor(102,0.633).
1233p1_size(102,0.5).
1234p1_pi_acceptor(102,0.1).
1235p1_branch(102,0.1).
1236p1_sigma(102,0.367).
1237p1_polarisable(102,0.5).
1238p1_flex(103,0.5).
1239p1_pi_doner(103,0.1).
1240p1_polar(103,0.42).
1241p1_h_doner(103,0.1).
1242p1_h_acceptor(103,0.633).
1243p1_size(103,0.5).
1244p1_pi_acceptor(103,0.1).
1245p1_branch(103,0.1).
1246p1_sigma(103,0.367).
1247p1_polarisable(103,0.5).
1248p1_flex(104,0.633).
1249p1_pi_doner(104,0.1).
1250p1_polar(104,0.42).
1251p1_h_doner(104,0.1).
1252p1_h_acceptor(104,0.633).
1253p1_size(104,0.5).
1254p1_pi_acceptor(104,0.1).
1255p1_branch(104,0.1).
1256p1_sigma(104,0.367).
1257p1_polarisable(104,0.5).
1258p1_flex(105,0.633).
1259p1_pi_doner(105,0.1).
1260p1_polar(105,0.42).
1261p1_h_doner(105,0.1).
1262p1_h_acceptor(105,0.633).
1263p1_size(105,0.5).
1264p1_pi_acceptor(105,0.1).
1265p1_branch(105,0.1).
1266p1_sigma(105,0.367).
1267p1_polarisable(105,0.5).
1268p1_flex(106,0.633).
1269p1_pi_doner(106,0.1).
1270p1_polar(106,0.42).
1271p1_h_doner(106,0.1).
1272p1_h_acceptor(106,0.633).
1273p1_size(106,0.5).
1274p1_pi_acceptor(106,0.1).
1275p1_branch(106,0.1).
1276p1_sigma(106,0.367).
1277p1_polarisable(106,0.5).
1278p1_flex(107,0.633).
1279p1_pi_doner(107,0.1).
1280p1_polar(107,0.42).
1281p1_h_doner(107,0.1).
1282p1_h_acceptor(107,0.633).
1283p1_size(107,0.5).
1284p1_pi_acceptor(107,0.1).
1285p1_branch(107,0.1).
1286p1_sigma(107,0.367).
1287p1_polarisable(107,0.5).
1288p1_flex(108,0.233).
1289p1_pi_doner(108,0.1).
1290p1_polar(108,0.42).
1291p1_h_doner(108,0.1).
1292p1_h_acceptor(108,0.633).
1293p1_size(108,0.633).
1294p1_pi_acceptor(108,0.1).
1295p1_branch(108,0.5).
1296p1_sigma(108,0.367).
1297p1_polarisable(108,0.1).
1298p1_flex(109,0.233).
1299p1_pi_doner(109,0.9).
1300p1_polar(109,0.42).
1301p1_h_doner(109,0.9).
1302p1_h_acceptor(109,0.633).
1303p1_size(109,0.633).
1304p1_pi_acceptor(109,0.1).
1305p1_branch(109,0.5).
1306p1_sigma(109,0.367).
1307p1_polarisable(109,0.5).
1308p1_flex(110,0.233).
1309p1_pi_doner(110,0.9).
1310p1_polar(110,0.42).
1311p1_h_doner(110,0.9).
1312p1_h_acceptor(110,0.633).
1313p1_size(110,0.633).
1314p1_pi_acceptor(110,0.1).
1315p1_branch(110,0.5).
1316p1_sigma(110,0.367).
1317p1_polarisable(110,0.5).
1318p1_flex(111,0.233).
1319p1_pi_doner(111,0.9).
1320p1_polar(111,0.42).
1321p1_h_doner(111,0.9).
1322p1_h_acceptor(111,0.633).
1323p1_size(111,0.633).
1324p1_pi_acceptor(111,0.1).
1325p1_branch(111,0.5).
1326p1_sigma(111,0.367).
1327p1_polarisable(111,0.5).
1328p1_flex(112,0.233).
1329p1_pi_doner(112,0.9).
1330p1_polar(112,0.42).
1331p1_h_doner(112,0.9).
1332p1_h_acceptor(112,0.633).
1333p1_size(112,0.633).
1334p1_pi_acceptor(112,0.1).
1335p1_branch(112,0.5).
1336p1_sigma(112,0.367).
1337p1_polarisable(112,0.5).
1338p1_flex(113,0.233).
1339p1_pi_doner(113,0.9).
1340p1_polar(113,0.42).
1341p1_h_doner(113,0.9).
1342p1_h_acceptor(113,0.633).
1343p1_size(113,0.633).
1344p1_pi_acceptor(113,0.1).
1345p1_branch(113,0.5).
1346p1_sigma(113,0.367).
1347p1_polarisable(113,0.5).
1348p1_flex(114,0.233).
1349p1_pi_doner(114,0.9).
1350p1_polar(114,0.42).
1351p1_h_doner(114,0.9).
1352p1_h_acceptor(114,0.633).
1353p1_size(114,0.633).
1354p1_pi_acceptor(114,0.1).
1355p1_branch(114,0.5).
1356p1_sigma(114,0.367).
1357p1_polarisable(114,0.5).
1358p1_flex(115,0.5).
1359p1_pi_doner(115,0.5).
1360p1_polar(115,0.42).
1361p1_h_doner(115,0.5).
1362p1_h_acceptor(115,0.367).
1363p1_size(115,0.633).
1364p1_pi_acceptor(115,0.1).
1365p1_branch(115,0.5).
1366p1_sigma(115,0.1).
1367p1_polarisable(115,0.5).
1368p1_flex(116,0.633).
1369p1_pi_doner(116,0.1).
1370p1_polar(116,0.42).
1371p1_h_doner(116,0.1).
1372p1_h_acceptor(116,0.367).
1373p1_size(116,0.633).
1374p1_pi_acceptor(116,0.1).
1375p1_branch(116,0.1).
1376p1_sigma(116,0.367).
1377p1_polarisable(116,0.5).
1378p1_flex(117,0.767).
1379p1_pi_doner(117,0.1).
1380p1_polar(117,0.42).
1381p1_h_doner(117,0.1).
1382p1_h_acceptor(117,0.633).
1383p1_size(117,0.633).
1384p1_pi_acceptor(117,0.1).
1385p1_branch(117,0.1).
1386p1_sigma(117,0.367).
1387p1_polarisable(117,0.5).
1388p1_flex(118,0.767).
1389p1_pi_doner(118,0.1).
1390p1_polar(118,0.42).
1391p1_h_doner(118,0.1).
1392p1_h_acceptor(118,0.633).
1393p1_size(118,0.633).
1394p1_pi_acceptor(118,0.1).
1395p1_branch(118,0.1).
1396p1_sigma(118,0.367).
1397p1_polarisable(118,0.5).
1398p1_flex(119,0.233).
1399p1_pi_doner(119,0.5).
1400p1_polar(119,0.42).
1401p1_h_doner(119,0.5).
1402p1_h_acceptor(119,0.9).
1403p1_size(119,0.767).
1404p1_pi_acceptor(119,0.1).
1405p1_branch(119,0.9).
1406p1_sigma(119,0.1).
1407p1_polarisable(119,0.5).
1408p1_flex(120,0.367).
1409p1_pi_doner(120,0.1).
1410p1_polar(120,0.42).
1411p1_h_doner(120,0.1).
1412p1_h_acceptor(120,0.367).
1413p1_size(120,0.767).
1414p1_pi_acceptor(120,0.1).
1415p1_branch(120,0.9).
1416p1_sigma(120,0.1).
1417p1_polarisable(120,0.5).
1418p1_flex(121,0.367).
1419p1_pi_doner(121,0.1).
1420p1_polar(121,0.42).
1421p1_h_doner(121,0.1).
1422p1_h_acceptor(121,0.9).
1423p1_size(121,0.767).
1424p1_pi_acceptor(121,0.1).
1425p1_branch(121,0.9).
1426p1_sigma(121,0.367).
1427p1_polarisable(121,0.1).
1428p1_flex(122,0.5).
1429p1_pi_doner(122,0.5).
1430p1_polar(122,0.42).
1431p1_h_doner(122,0.5).
1432p1_h_acceptor(122,0.633).
1433p1_size(122,0.767).
1434p1_pi_acceptor(122,0.1).
1435p1_branch(122,0.9).
1436p1_sigma(122,0.1).
1437p1_polarisable(122,0.5).
1438p1_flex(123,0.9).
1439p1_pi_doner(123,0.1).
1440p1_polar(123,0.42).
1441p1_h_doner(123,0.1).
1442p1_h_acceptor(123,0.633).
1443p1_size(123,0.767).
1444p1_pi_acceptor(123,0.1).
1445p1_branch(123,0.1).
1446p1_sigma(123,0.367).
1447p1_polarisable(123,0.5).
1448p1_flex(124,0.233).
1449p1_pi_doner(124,0.1).
1450p1_polar(124,0.42).
1451p1_h_doner(124,0.1).
1452p1_h_acceptor(124,0.633).
1453p1_size(124,0.9).
1454p1_pi_acceptor(124,0.1).
1455p1_branch(124,0.5).
1456p1_sigma(124,0.367).
1457p1_polarisable(124,0.1).
1458p1_flex(125,0.1).
1459p1_pi_doner(125,0.1).
1460p1_polar(125,0.58).
1461p1_h_doner(125,0.1).
1462p1_h_acceptor(125,0.1).
1463p1_size(125,0.233).
1464p1_pi_acceptor(125,0.5).
1465p1_branch(125,0.5).
1466p1_sigma(125,0.9).
1467p1_polarisable(125,0.1).
1468p1_flex(126,0.1).
1469p1_pi_doner(126,0.1).
1470p1_polar(126,0.58).
1471p1_h_doner(126,0.1).
1472p1_h_acceptor(126,0.1).
1473p1_size(126,0.233).
1474p1_pi_acceptor(126,0.1).
1475p1_branch(126,0.1).
1476p1_sigma(126,0.9).
1477p1_polarisable(126,0.5).
1478p1_flex(127,0.1).
1479p1_pi_doner(127,0.1).
1480p1_polar(127,0.58).
1481p1_h_doner(127,0.1).
1482p1_h_acceptor(127,0.1).
1483p1_size(127,0.233).
1484p1_pi_acceptor(127,0.1).
1485p1_branch(127,0.1).
1486p1_sigma(127,0.9).
1487p1_polarisable(127,0.5).
1488p1_flex(128,0.1).
1489p1_pi_doner(128,0.1).
1490p1_polar(128,0.58).
1491p1_h_doner(128,0.1).
1492p1_h_acceptor(128,0.1).
1493p1_size(128,0.233).
1494p1_pi_acceptor(128,0.1).
1495p1_branch(128,0.1).
1496p1_sigma(128,0.9).
1497p1_polarisable(128,0.5).
1498p1_flex(129,0.1).
1499p1_pi_doner(129,0.1).
1500p1_polar(129,0.58).
1501p1_h_doner(129,0.1).
1502p1_h_acceptor(129,0.1).
1503p1_size(129,0.233).
1504p1_pi_acceptor(129,0.1).
1505p1_branch(129,0.1).
1506p1_sigma(129,0.9).
1507p1_polarisable(129,0.5).
1508p1_flex(130,0.1).
1509p1_pi_doner(130,0.1).
1510p1_polar(130,0.58).
1511p1_h_doner(130,0.1).
1512p1_h_acceptor(130,0.1).
1513p1_size(130,0.233).
1514p1_pi_acceptor(130,0.1).
1515p1_branch(130,0.1).
1516p1_sigma(130,0.9).
1517p1_polarisable(130,0.5).
1518p1_flex(131,0.1).
1519p1_pi_doner(131,0.1).
1520p1_polar(131,0.58).
1521p1_h_doner(131,0.1).
1522p1_h_acceptor(131,0.1).
1523p1_size(131,0.233).
1524p1_pi_acceptor(131,0.1).
1525p1_branch(131,0.1).
1526p1_sigma(131,0.9).
1527p1_polarisable(131,0.5).
1528p1_flex(132,0.1).
1529p1_pi_doner(132,0.1).
1530p1_polar(132,0.58).
1531p1_h_doner(132,0.1).
1532p1_h_acceptor(132,0.1).
1533p1_size(132,0.233).
1534p1_pi_acceptor(132,0.1).
1535p1_branch(132,0.1).
1536p1_sigma(132,0.9).
1537p1_polarisable(132,0.5).
1538p1_flex(133,0.1).
1539p1_pi_doner(133,0.1).
1540p1_polar(133,0.58).
1541p1_h_doner(133,0.1).
1542p1_h_acceptor(133,0.1).
1543p1_size(133,0.233).
1544p1_pi_acceptor(133,0.1).
1545p1_branch(133,0.1).
1546p1_sigma(133,0.9).
1547p1_polarisable(133,0.5).
1548p1_flex(134,0.1).
1549p1_pi_doner(134,0.1).
1550p1_polar(134,0.58).
1551p1_h_doner(134,0.1).
1552p1_h_acceptor(134,0.1).
1553p1_size(134,0.233).
1554p1_pi_acceptor(134,0.1).
1555p1_branch(134,0.1).
1556p1_sigma(134,0.9).
1557p1_polarisable(134,0.5).
1558p1_flex(135,0.1).
1559p1_pi_doner(135,0.1).
1560p1_polar(135,0.58).
1561p1_h_doner(135,0.1).
1562p1_h_acceptor(135,0.1).
1563p1_size(135,0.233).
1564p1_pi_acceptor(135,0.1).
1565p1_branch(135,0.1).
1566p1_sigma(135,0.9).
1567p1_polarisable(135,0.5).
1568p1_flex(136,0.1).
1569p1_pi_doner(136,0.1).
1570p1_polar(136,0.58).
1571p1_h_doner(136,0.1).
1572p1_h_acceptor(136,0.1).
1573p1_size(136,0.233).
1574p1_pi_acceptor(136,0.1).
1575p1_branch(136,0.1).
1576p1_sigma(136,0.9).
1577p1_polarisable(136,0.5).
1578p1_flex(137,0.1).
1579p1_pi_doner(137,0.1).
1580p1_polar(137,0.58).
1581p1_h_doner(137,0.1).
1582p1_h_acceptor(137,0.1).
1583p1_size(137,0.233).
1584p1_pi_acceptor(137,0.1).
1585p1_branch(137,0.1).
1586p1_sigma(137,0.9).
1587p1_polarisable(137,0.5).
1588p1_flex(138,0.1).
1589p1_pi_doner(138,0.1).
1590p1_polar(138,0.58).
1591p1_h_doner(138,0.1).
1592p1_h_acceptor(138,0.1).
1593p1_size(138,0.233).
1594p1_pi_acceptor(138,0.1).
1595p1_branch(138,0.1).
1596p1_sigma(138,0.9).
1597p1_polarisable(138,0.5).
1598p1_flex(139,0.1).
1599p1_pi_doner(139,0.1).
1600p1_polar(139,0.58).
1601p1_h_doner(139,0.1).
1602p1_h_acceptor(139,0.1).
1603p1_size(139,0.233).
1604p1_pi_acceptor(139,0.1).
1605p1_branch(139,0.1).
1606p1_sigma(139,0.9).
1607p1_polarisable(139,0.5).
1608p1_flex(140,0.1).
1609p1_pi_doner(140,0.1).
1610p1_polar(140,0.58).
1611p1_h_doner(140,0.1).
1612p1_h_acceptor(140,0.1).
1613p1_size(140,0.233).
1614p1_pi_acceptor(140,0.1).
1615p1_branch(140,0.1).
1616p1_sigma(140,0.9).
1617p1_polarisable(140,0.5).
1618p1_flex(141,0.1).
1619p1_pi_doner(141,0.1).
1620p1_polar(141,0.58).
1621p1_h_doner(141,0.1).
1622p1_h_acceptor(141,0.1).
1623p1_size(141,0.233).
1624p1_pi_acceptor(141,0.1).
1625p1_branch(141,0.1).
1626p1_sigma(141,0.9).
1627p1_polarisable(141,0.5).
1628p1_flex(142,0.1).
1629p1_pi_doner(142,0.1).
1630p1_polar(142,0.58).
1631p1_h_doner(142,0.1).
1632p1_h_acceptor(142,0.1).
1633p1_size(142,0.233).
1634p1_pi_acceptor(142,0.1).
1635p1_branch(142,0.1).
1636p1_sigma(142,0.9).
1637p1_polarisable(142,0.5).
1638p1_flex(143,0.1).
1639p1_pi_doner(143,0.1).
1640p1_polar(143,0.58).
1641p1_h_doner(143,0.1).
1642p1_h_acceptor(143,0.1).
1643p1_size(143,0.233).
1644p1_pi_acceptor(143,0.1).
1645p1_branch(143,0.1).
1646p1_sigma(143,0.9).
1647p1_polarisable(143,0.5).
1648p1_flex(144,0.1).
1649p1_pi_doner(144,0.1).
1650p1_polar(144,0.58).
1651p1_h_doner(144,0.1).
1652p1_h_acceptor(144,0.1).
1653p1_size(144,0.233).
1654p1_pi_acceptor(144,0.1).
1655p1_branch(144,0.1).
1656p1_sigma(144,0.9).
1657p1_polarisable(144,0.5).
1658p1_flex(145,0.1).
1659p1_pi_doner(145,0.1).
1660p1_polar(145,0.58).
1661p1_h_doner(145,0.1).
1662p1_h_acceptor(145,0.1).
1663p1_size(145,0.233).
1664p1_pi_acceptor(145,0.1).
1665p1_branch(145,0.1).
1666p1_sigma(145,0.9).
1667p1_polarisable(145,0.5).
1668p1_flex(146,0.1).
1669p1_pi_doner(146,0.1).
1670p1_polar(146,0.58).
1671p1_h_doner(146,0.1).
1672p1_h_acceptor(146,0.1).
1673p1_size(146,0.233).
1674p1_pi_acceptor(146,0.1).
1675p1_branch(146,0.1).
1676p1_sigma(146,0.9).
1677p1_polarisable(146,0.5).
1678p1_flex(147,0.1).
1679p1_pi_doner(147,0.1).
1680p1_polar(147,0.58).
1681p1_h_doner(147,0.1).
1682p1_h_acceptor(147,0.1).
1683p1_size(147,0.233).
1684p1_pi_acceptor(147,0.1).
1685p1_branch(147,0.1).
1686p1_sigma(147,0.9).
1687p1_polarisable(147,0.5).
1688p1_flex(148,0.1).
1689p1_pi_doner(148,0.1).
1690p1_polar(148,0.58).
1691p1_h_doner(148,0.1).
1692p1_h_acceptor(148,0.1).
1693p1_size(148,0.233).
1694p1_pi_acceptor(148,0.1).
1695p1_branch(148,0.1).
1696p1_sigma(148,0.9).
1697p1_polarisable(148,0.5).
1698p1_flex(149,0.1).
1699p1_pi_doner(149,0.1).
1700p1_polar(149,0.58).
1701p1_h_doner(149,0.1).
1702p1_h_acceptor(149,0.1).
1703p1_size(149,0.233).
1704p1_pi_acceptor(149,0.1).
1705p1_branch(149,0.1).
1706p1_sigma(149,0.9).
1707p1_polarisable(149,0.5).
1708p1_flex(150,0.1).
1709p1_pi_doner(150,0.1).
1710p1_polar(150,0.58).
1711p1_h_doner(150,0.1).
1712p1_h_acceptor(150,0.1).
1713p1_size(150,0.233).
1714p1_pi_acceptor(150,0.1).
1715p1_branch(150,0.1).
1716p1_sigma(150,0.9).
1717p1_polarisable(150,0.5).
1718p1_flex(151,0.1).
1719p1_pi_doner(151,0.1).
1720p1_polar(151,0.58).
1721p1_h_doner(151,0.1).
1722p1_h_acceptor(151,0.1).
1723p1_size(151,0.233).
1724p1_pi_acceptor(151,0.1).
1725p1_branch(151,0.1).
1726p1_sigma(151,0.9).
1727p1_polarisable(151,0.5).
1728p1_flex(152,0.1).
1729p1_pi_doner(152,0.1).
1730p1_polar(152,0.58).
1731p1_h_doner(152,0.1).
1732p1_h_acceptor(152,0.1).
1733p1_size(152,0.233).
1734p1_pi_acceptor(152,0.1).
1735p1_branch(152,0.1).
1736p1_sigma(152,0.9).
1737p1_polarisable(152,0.5).
1738p1_flex(153,0.1).
1739p1_pi_doner(153,0.1).
1740p1_polar(153,0.58).
1741p1_h_doner(153,0.1).
1742p1_h_acceptor(153,0.1).
1743p1_size(153,0.233).
1744p1_pi_acceptor(153,0.1).
1745p1_branch(153,0.1).
1746p1_sigma(153,0.9).
1747p1_polarisable(153,0.5).
1748p1_flex(154,0.1).
1749p1_pi_doner(154,0.1).
1750p1_polar(154,0.58).
1751p1_h_doner(154,0.1).
1752p1_h_acceptor(154,0.1).
1753p1_size(154,0.233).
1754p1_pi_acceptor(154,0.1).
1755p1_branch(154,0.1).
1756p1_sigma(154,0.9).
1757p1_polarisable(154,0.5).
1758p1_flex(155,0.1).
1759p1_pi_doner(155,0.1).
1760p1_polar(155,0.58).
1761p1_h_doner(155,0.1).
1762p1_h_acceptor(155,0.1).
1763p1_size(155,0.233).
1764p1_pi_acceptor(155,0.1).
1765p1_branch(155,0.1).
1766p1_sigma(155,0.9).
1767p1_polarisable(155,0.5).
1768p1_flex(156,0.1).
1769p1_pi_doner(156,0.1).
1770p1_polar(156,0.58).
1771p1_h_doner(156,0.1).
1772p1_h_acceptor(156,0.1).
1773p1_size(156,0.233).
1774p1_pi_acceptor(156,0.1).
1775p1_branch(156,0.1).
1776p1_sigma(156,0.9).
1777p1_polarisable(156,0.5).
1778p1_flex(157,0.1).
1779p1_pi_doner(157,0.1).
1780p1_polar(157,0.58).
1781p1_h_doner(157,0.1).
1782p1_h_acceptor(157,0.1).
1783p1_size(157,0.233).
1784p1_pi_acceptor(157,0.1).
1785p1_branch(157,0.1).
1786p1_sigma(157,0.9).
1787p1_polarisable(157,0.5).
1788p1_flex(158,0.1).
1789p1_pi_doner(158,0.1).
1790p1_polar(158,0.58).
1791p1_h_doner(158,0.1).
1792p1_h_acceptor(158,0.1).
1793p1_size(158,0.233).
1794p1_pi_acceptor(158,0.1).
1795p1_branch(158,0.1).
1796p1_sigma(158,0.9).
1797p1_polarisable(158,0.5).
1798p1_flex(159,0.1).
1799p1_pi_doner(159,0.1).
1800p1_polar(159,0.58).
1801p1_h_doner(159,0.1).
1802p1_h_acceptor(159,0.1).
1803p1_size(159,0.233).
1804p1_pi_acceptor(159,0.1).
1805p1_branch(159,0.1).
1806p1_sigma(159,0.9).
1807p1_polarisable(159,0.5).
1808p1_flex(160,0.1).
1809p1_pi_doner(160,0.1).
1810p1_polar(160,0.58).
1811p1_h_doner(160,0.1).
1812p1_h_acceptor(160,0.1).
1813p1_size(160,0.233).
1814p1_pi_acceptor(160,0.1).
1815p1_branch(160,0.1).
1816p1_sigma(160,0.9).
1817p1_polarisable(160,0.5).
1818p1_flex(161,0.1).
1819p1_pi_doner(161,0.1).
1820p1_polar(161,0.58).
1821p1_h_doner(161,0.1).
1822p1_h_acceptor(161,0.1).
1823p1_size(161,0.233).
1824p1_pi_acceptor(161,0.1).
1825p1_branch(161,0.1).
1826p1_sigma(161,0.9).
1827p1_polarisable(161,0.5).
1828p1_flex(162,0.1).
1829p1_pi_doner(162,0.1).
1830p1_polar(162,0.58).
1831p1_h_doner(162,0.1).
1832p1_h_acceptor(162,0.1).
1833p1_size(162,0.233).
1834p1_pi_acceptor(162,0.1).
1835p1_branch(162,0.1).
1836p1_sigma(162,0.9).
1837p1_polarisable(162,0.5).
1838p1_flex(163,0.1).
1839p1_pi_doner(163,0.1).
1840p1_polar(163,0.58).
1841p1_h_doner(163,0.1).
1842p1_h_acceptor(163,0.1).
1843p1_size(163,0.233).
1844p1_pi_acceptor(163,0.1).
1845p1_branch(163,0.1).
1846p1_sigma(163,0.9).
1847p1_polarisable(163,0.5).
1848p1_flex(164,0.1).
1849p1_pi_doner(164,0.1).
1850p1_polar(164,0.58).
1851p1_h_doner(164,0.1).
1852p1_h_acceptor(164,0.1).
1853p1_size(164,0.233).
1854p1_pi_acceptor(164,0.1).
1855p1_branch(164,0.1).
1856p1_sigma(164,0.9).
1857p1_polarisable(164,0.5).
1858p1_flex(165,0.1).
1859p1_pi_doner(165,0.1).
1860p1_polar(165,0.58).
1861p1_h_doner(165,0.1).
1862p1_h_acceptor(165,0.1).
1863p1_size(165,0.233).
1864p1_pi_acceptor(165,0.1).
1865p1_branch(165,0.1).
1866p1_sigma(165,0.9).
1867p1_polarisable(165,0.5).
1868p1_flex(166,0.1).
1869p1_pi_doner(166,0.1).
1870p1_polar(166,0.58).
1871p1_h_doner(166,0.1).
1872p1_h_acceptor(166,0.1).
1873p1_size(166,0.233).
1874p1_pi_acceptor(166,0.1).
1875p1_branch(166,0.1).
1876p1_sigma(166,0.9).
1877p1_polarisable(166,0.5).
1878p1_flex(167,0.1).
1879p1_pi_doner(167,0.1).
1880p1_polar(167,0.58).
1881p1_h_doner(167,0.1).
1882p1_h_acceptor(167,0.1).
1883p1_size(167,0.233).
1884p1_pi_acceptor(167,0.1).
1885p1_branch(167,0.1).
1886p1_sigma(167,0.9).
1887p1_polarisable(167,0.5).
1888p1_flex(168,0.1).
1889p1_pi_doner(168,0.1).
1890p1_polar(168,0.58).
1891p1_h_doner(168,0.1).
1892p1_h_acceptor(168,0.1).
1893p1_size(168,0.233).
1894p1_pi_acceptor(168,0.1).
1895p1_branch(168,0.1).
1896p1_sigma(168,0.9).
1897p1_polarisable(168,0.5).
1898p1_flex(169,0.1).
1899p1_pi_doner(169,0.1).
1900p1_polar(169,0.58).
1901p1_h_doner(169,0.1).
1902p1_h_acceptor(169,0.1).
1903p1_size(169,0.233).
1904p1_pi_acceptor(169,0.1).
1905p1_branch(169,0.1).
1906p1_sigma(169,0.9).
1907p1_polarisable(169,0.5).
1908p1_flex(170,0.1).
1909p1_pi_doner(170,0.1).
1910p1_polar(170,0.58).
1911p1_h_doner(170,0.1).
1912p1_h_acceptor(170,0.1).
1913p1_size(170,0.233).
1914p1_pi_acceptor(170,0.1).
1915p1_branch(170,0.1).
1916p1_sigma(170,0.9).
1917p1_polarisable(170,0.5).
1918p1_flex(171,0.1).
1919p1_pi_doner(171,0.1).
1920p1_polar(171,0.58).
1921p1_h_doner(171,0.1).
1922p1_h_acceptor(171,0.1).
1923p1_size(171,0.233).
1924p1_pi_acceptor(171,0.1).
1925p1_branch(171,0.1).
1926p1_sigma(171,0.9).
1927p1_polarisable(171,0.5).
1928p1_flex(172,0.1).
1929p1_pi_doner(172,0.1).
1930p1_polar(172,0.58).
1931p1_h_doner(172,0.1).
1932p1_h_acceptor(172,0.1).
1933p1_size(172,0.233).
1934p1_pi_acceptor(172,0.1).
1935p1_branch(172,0.1).
1936p1_sigma(172,0.9).
1937p1_polarisable(172,0.5).
1938p1_flex(173,0.1).
1939p1_pi_doner(173,0.1).
1940p1_polar(173,0.58).
1941p1_h_doner(173,0.1).
1942p1_h_acceptor(173,0.1).
1943p1_size(173,0.233).
1944p1_pi_acceptor(173,0.1).
1945p1_branch(173,0.1).
1946p1_sigma(173,0.9).
1947p1_polarisable(173,0.5).
1948p1_flex(174,0.1).
1949p1_pi_doner(174,0.1).
1950p1_polar(174,0.58).
1951p1_h_doner(174,0.1).
1952p1_h_acceptor(174,0.1).
1953p1_size(174,0.233).
1954p1_pi_acceptor(174,0.1).
1955p1_branch(174,0.1).
1956p1_sigma(174,0.9).
1957p1_polarisable(174,0.5).
1958p1_flex(175,0.1).
1959p1_pi_doner(175,0.1).
1960p1_polar(175,0.58).
1961p1_h_doner(175,0.1).
1962p1_h_acceptor(175,0.1).
1963p1_size(175,0.233).
1964p1_pi_acceptor(175,0.1).
1965p1_branch(175,0.1).
1966p1_sigma(175,0.9).
1967p1_polarisable(175,0.5).
1968p1_flex(176,0.1).
1969p1_pi_doner(176,0.1).
1970p1_polar(176,0.58).
1971p1_h_doner(176,0.1).
1972p1_h_acceptor(176,0.1).
1973p1_size(176,0.233).
1974p1_pi_acceptor(176,0.1).
1975p1_branch(176,0.1).
1976p1_sigma(176,0.9).
1977p1_polarisable(176,0.5).
1978p1_flex(177,0.1).
1979p1_pi_doner(177,0.1).
1980p1_polar(177,0.58).
1981p1_h_doner(177,0.1).
1982p1_h_acceptor(177,0.1).
1983p1_size(177,0.233).
1984p1_pi_acceptor(177,0.1).
1985p1_branch(177,0.1).
1986p1_sigma(177,0.9).
1987p1_polarisable(177,0.5).
1988p1_flex(178,0.1).
1989p1_pi_doner(178,0.1).
1990p1_polar(178,0.58).
1991p1_h_doner(178,0.1).
1992p1_h_acceptor(178,0.1).
1993p1_size(178,0.233).
1994p1_pi_acceptor(178,0.1).
1995p1_branch(178,0.1).
1996p1_sigma(178,0.9).
1997p1_polarisable(178,0.5).
1998p1_flex(179,0.1).
1999p1_pi_doner(179,0.1).
2000p1_polar(179,0.58).
2001p1_h_doner(179,0.1).
2002p1_h_acceptor(179,0.1).
2003p1_size(179,0.233).
2004p1_pi_acceptor(179,0.1).
2005p1_branch(179,0.1).
2006p1_sigma(179,0.9).
2007p1_polarisable(179,0.5).
2008p1_flex(180,0.1).
2009p1_pi_doner(180,0.1).
2010p1_polar(180,0.58).
2011p1_h_doner(180,0.1).
2012p1_h_acceptor(180,0.1).
2013p1_size(180,0.233).
2014p1_pi_acceptor(180,0.1).
2015p1_branch(180,0.1).
2016p1_sigma(180,0.9).
2017p1_polarisable(180,0.5).
2018p1_flex(181,0.1).
2019p1_pi_doner(181,0.1).
2020p1_polar(181,0.58).
2021p1_h_doner(181,0.1).
2022p1_h_acceptor(181,0.1).
2023p1_size(181,0.233).
2024p1_pi_acceptor(181,0.1).
2025p1_branch(181,0.1).
2026p1_sigma(181,0.9).
2027p1_polarisable(181,0.5).
2028p1_flex(182,0.1).
2029p1_pi_doner(182,0.1).
2030p1_polar(182,0.58).
2031p1_h_doner(182,0.1).
2032p1_h_acceptor(182,0.1).
2033p1_size(182,0.233).
2034p1_pi_acceptor(182,0.1).
2035p1_branch(182,0.1).
2036p1_sigma(182,0.633).
2037p1_polarisable(182,0.9).
2038p1_flex(183,0.233).
2039p1_pi_doner(183,0.1).
2040p1_polar(183,0.58).
2041p1_h_doner(183,0.1).
2042p1_h_acceptor(183,0.367).
2043p1_size(183,0.367).
2044p1_pi_acceptor(183,0.5).
2045p1_branch(183,0.5).
2046p1_sigma(183,0.1).
2047p1_polarisable(183,0.5).
2048p1_flex(184,0.233).
2049p1_pi_doner(184,0.5).
2050p1_polar(184,0.58).
2051p1_h_doner(184,0.5).
2052p1_h_acceptor(184,0.367).
2053p1_size(184,0.367).
2054p1_pi_acceptor(184,0.5).
2055p1_branch(184,0.5).
2056p1_sigma(184,0.1).
2057p1_polarisable(184,0.5).
2058p1_flex(185,0.1).
2059p1_pi_doner(185,0.1).
2060p1_polar(185,0.74).
2061p1_h_doner(185,0.1).
2062p1_h_acceptor(185,0.1).
2063p1_size(185,0.367).
2064p1_pi_acceptor(185,0.5).
2065p1_branch(185,0.9).
2066p1_sigma(185,0.633).
2067p1_polarisable(185,0.9).
2068p1_flex(186,0.1).
2069p1_pi_doner(186,0.1).
2070p1_polar(186,0.9).
2071p1_h_doner(186,0.1).
2072p1_h_acceptor(186,0.1).
2073p1_size(186,0.367).
2074p1_pi_acceptor(186,0.9).
2075p1_branch(186,0.5).
2076p1_sigma(186,0.9).
2077p1_polarisable(186,0.1).
2078p2_flex(1,0.1).
2079p2_pi_doner(1,0.1).
2080p2_polar(1,0.1).
2081p2_h_doner(1,0.1).
2082p2_h_acceptor(1,0.1).
2083p2_size(1,0.1).
2084p2_pi_acceptor(1,0.1).
2085p2_branch(1,0.1).
2086p2_sigma(1,0.1).
2087p2_polarisable(1,0.1).
2088p2_flex(2,0.1).
2089p2_pi_doner(2,0.1).
2090p2_polar(2,0.1).
2091p2_h_doner(2,0.1).
2092p2_h_acceptor(2,0.1).
2093p2_size(2,0.1).
2094p2_pi_acceptor(2,0.1).
2095p2_branch(2,0.1).
2096p2_sigma(2,0.1).
2097p2_polarisable(2,0.1).
2098p2_flex(3,0.1).
2099p2_pi_doner(3,0.1).
2100p2_polar(3,0.1).
2101p2_h_doner(3,0.1).
2102p2_h_acceptor(3,0.1).
2103p2_size(3,0.1).
2104p2_pi_acceptor(3,0.1).
2105p2_branch(3,0.1).
2106p2_sigma(3,0.1).
2107p2_polarisable(3,0.1).
2108p2_flex(4,0.1).
2109p2_pi_doner(4,0.1).
2110p2_polar(4,0.1).
2111p2_h_doner(4,0.1).
2112p2_h_acceptor(4,0.1).
2113p2_size(4,0.1).
2114p2_pi_acceptor(4,0.1).
2115p2_branch(4,0.1).
2116p2_sigma(4,0.1).
2117p2_polarisable(4,0.1).
2118p2_flex(5,0.1).
2119p2_pi_doner(5,0.1).
2120p2_polar(5,0.1).
2121p2_h_doner(5,0.1).
2122p2_h_acceptor(5,0.1).
2123p2_size(5,0.1).
2124p2_pi_acceptor(5,0.1).
2125p2_branch(5,0.1).
2126p2_sigma(5,0.1).
2127p2_polarisable(5,0.1).
2128p2_flex(6,0.1).
2129p2_pi_doner(6,0.1).
2130p2_polar(6,0.1).
2131p2_h_doner(6,0.1).
2132p2_h_acceptor(6,0.1).
2133p2_size(6,0.1).
2134p2_pi_acceptor(6,0.1).
2135p2_branch(6,0.1).
2136p2_sigma(6,0.1).
2137p2_polarisable(6,0.1).
2138p2_flex(7,0.1).
2139p2_pi_doner(7,0.1).
2140p2_polar(7,0.1).
2141p2_h_doner(7,0.1).
2142p2_h_acceptor(7,0.1).
2143p2_size(7,0.1).
2144p2_pi_acceptor(7,0.1).
2145p2_branch(7,0.1).
2146p2_sigma(7,0.1).
2147p2_polarisable(7,0.1).
2148p2_flex(8,0.1).
2149p2_pi_doner(8,0.1).
2150p2_polar(8,0.1).
2151p2_h_doner(8,0.1).
2152p2_h_acceptor(8,0.1).
2153p2_size(8,0.1).
2154p2_pi_acceptor(8,0.1).
2155p2_branch(8,0.1).
2156p2_sigma(8,0.1).
2157p2_polarisable(8,0.1).
2158p2_flex(9,0.1).
2159p2_pi_doner(9,0.1).
2160p2_polar(9,0.1).
2161p2_h_doner(9,0.1).
2162p2_h_acceptor(9,0.1).
2163p2_size(9,0.1).
2164p2_pi_acceptor(9,0.1).
2165p2_branch(9,0.1).
2166p2_sigma(9,0.1).
2167p2_polarisable(9,0.1).
2168p2_flex(10,0.1).
2169p2_pi_doner(10,0.1).
2170p2_polar(10,0.1).
2171p2_h_doner(10,0.1).
2172p2_h_acceptor(10,0.1).
2173p2_size(10,0.1).
2174p2_pi_acceptor(10,0.1).
2175p2_branch(10,0.1).
2176p2_sigma(10,0.1).
2177p2_polarisable(10,0.1).
2178p2_flex(11,0.1).
2179p2_pi_doner(11,0.1).
2180p2_polar(11,0.1).
2181p2_h_doner(11,0.1).
2182p2_h_acceptor(11,0.1).
2183p2_size(11,0.1).
2184p2_pi_acceptor(11,0.1).
2185p2_branch(11,0.1).
2186p2_sigma(11,0.1).
2187p2_polarisable(11,0.1).
2188p2_flex(12,0.1).
2189p2_pi_doner(12,0.1).
2190p2_polar(12,0.1).
2191p2_h_doner(12,0.1).
2192p2_h_acceptor(12,0.1).
2193p2_size(12,0.1).
2194p2_pi_acceptor(12,0.1).
2195p2_branch(12,0.1).
2196p2_sigma(12,0.1).
2197p2_polarisable(12,0.1).
2198p2_flex(13,0.1).
2199p2_pi_doner(13,0.1).
2200p2_polar(13,0.1).
2201p2_h_doner(13,0.1).
2202p2_h_acceptor(13,0.1).
2203p2_size(13,0.1).
2204p2_pi_acceptor(13,0.1).
2205p2_branch(13,0.1).
2206p2_sigma(13,0.1).
2207p2_polarisable(13,0.1).
2208p2_flex(14,0.1).
2209p2_pi_doner(14,0.1).
2210p2_polar(14,0.1).
2211p2_h_doner(14,0.1).
2212p2_h_acceptor(14,0.1).
2213p2_size(14,0.1).
2214p2_pi_acceptor(14,0.1).
2215p2_branch(14,0.1).
2216p2_sigma(14,0.1).
2217p2_polarisable(14,0.1).
2218p2_flex(15,0.1).
2219p2_pi_doner(15,0.1).
2220p2_polar(15,0.1).
2221p2_h_doner(15,0.1).
2222p2_h_acceptor(15,0.1).
2223p2_size(15,0.1).
2224p2_pi_acceptor(15,0.1).
2225p2_branch(15,0.1).
2226p2_sigma(15,0.1).
2227p2_polarisable(15,0.1).
2228p2_flex(16,0.1).
2229p2_pi_doner(16,0.1).
2230p2_polar(16,0.1).
2231p2_h_doner(16,0.1).
2232p2_h_acceptor(16,0.1).
2233p2_size(16,0.1).
2234p2_pi_acceptor(16,0.1).
2235p2_branch(16,0.1).
2236p2_sigma(16,0.1).
2237p2_polarisable(16,0.1).
2238p2_flex(17,0.1).
2239p2_pi_doner(17,0.1).
2240p2_polar(17,0.1).
2241p2_h_doner(17,0.1).
2242p2_h_acceptor(17,0.1).
2243p2_size(17,0.1).
2244p2_pi_acceptor(17,0.1).
2245p2_branch(17,0.1).
2246p2_sigma(17,0.1).
2247p2_polarisable(17,0.1).
2248p2_flex(18,0.1).
2249p2_pi_doner(18,0.1).
2250p2_polar(18,0.1).
2251p2_h_doner(18,0.1).
2252p2_h_acceptor(18,0.1).
2253p2_size(18,0.1).
2254p2_pi_acceptor(18,0.1).
2255p2_branch(18,0.1).
2256p2_sigma(18,0.1).
2257p2_polarisable(18,0.1).
2258p2_flex(19,0.1).
2259p2_pi_doner(19,0.1).
2260p2_polar(19,0.1).
2261p2_h_doner(19,0.1).
2262p2_h_acceptor(19,0.1).
2263p2_size(19,0.1).
2264p2_pi_acceptor(19,0.1).
2265p2_branch(19,0.1).
2266p2_sigma(19,0.1).
2267p2_polarisable(19,0.1).
2268p2_flex(20,0.1).
2269p2_pi_doner(20,0.1).
2270p2_polar(20,0.1).
2271p2_h_doner(20,0.1).
2272p2_h_acceptor(20,0.1).
2273p2_size(20,0.1).
2274p2_pi_acceptor(20,0.1).
2275p2_branch(20,0.1).
2276p2_sigma(20,0.1).
2277p2_polarisable(20,0.1).
2278p2_flex(21,0.1).
2279p2_pi_doner(21,0.1).
2280p2_polar(21,0.1).
2281p2_h_doner(21,0.1).
2282p2_h_acceptor(21,0.1).
2283p2_size(21,0.1).
2284p2_pi_acceptor(21,0.1).
2285p2_branch(21,0.1).
2286p2_sigma(21,0.1).
2287p2_polarisable(21,0.1).
2288p2_flex(22,0.1).
2289p2_pi_doner(22,0.1).
2290p2_polar(22,0.1).
2291p2_h_doner(22,0.1).
2292p2_h_acceptor(22,0.1).
2293p2_size(22,0.1).
2294p2_pi_acceptor(22,0.1).
2295p2_branch(22,0.1).
2296p2_sigma(22,0.1).
2297p2_polarisable(22,0.1).
2298p2_flex(23,0.1).
2299p2_pi_doner(23,0.1).
2300p2_polar(23,0.1).
2301p2_h_doner(23,0.1).
2302p2_h_acceptor(23,0.1).
2303p2_size(23,0.1).
2304p2_pi_acceptor(23,0.1).
2305p2_branch(23,0.1).
2306p2_sigma(23,0.1).
2307p2_polarisable(23,0.1).
2308p2_flex(24,0.1).
2309p2_pi_doner(24,0.1).
2310p2_polar(24,0.1).
2311p2_h_doner(24,0.1).
2312p2_h_acceptor(24,0.1).
2313p2_size(24,0.1).
2314p2_pi_acceptor(24,0.1).
2315p2_branch(24,0.1).
2316p2_sigma(24,0.1).
2317p2_polarisable(24,0.1).
2318p2_flex(25,0.1).
2319p2_pi_doner(25,0.1).
2320p2_polar(25,0.1).
2321p2_h_doner(25,0.1).
2322p2_h_acceptor(25,0.1).
2323p2_size(25,0.1).
2324p2_pi_acceptor(25,0.1).
2325p2_branch(25,0.1).
2326p2_sigma(25,0.1).
2327p2_polarisable(25,0.1).
2328p2_flex(26,0.1).
2329p2_pi_doner(26,0.1).
2330p2_polar(26,0.1).
2331p2_h_doner(26,0.1).
2332p2_h_acceptor(26,0.1).
2333p2_size(26,0.1).
2334p2_pi_acceptor(26,0.1).
2335p2_branch(26,0.1).
2336p2_sigma(26,0.1).
2337p2_polarisable(26,0.1).
2338p2_flex(27,0.1).
2339p2_pi_doner(27,0.1).
2340p2_polar(27,0.1).
2341p2_h_doner(27,0.1).
2342p2_h_acceptor(27,0.1).
2343p2_size(27,0.1).
2344p2_pi_acceptor(27,0.1).
2345p2_branch(27,0.1).
2346p2_sigma(27,0.1).
2347p2_polarisable(27,0.1).
2348p2_flex(28,0.1).
2349p2_pi_doner(28,0.1).
2350p2_polar(28,0.1).
2351p2_h_doner(28,0.1).
2352p2_h_acceptor(28,0.1).
2353p2_size(28,0.1).
2354p2_pi_acceptor(28,0.1).
2355p2_branch(28,0.1).
2356p2_sigma(28,0.1).
2357p2_polarisable(28,0.1).
2358p2_flex(29,0.1).
2359p2_pi_doner(29,0.1).
2360p2_polar(29,0.1).
2361p2_h_doner(29,0.1).
2362p2_h_acceptor(29,0.1).
2363p2_size(29,0.1).
2364p2_pi_acceptor(29,0.1).
2365p2_branch(29,0.1).
2366p2_sigma(29,0.1).
2367p2_polarisable(29,0.1).
2368p2_flex(30,0.1).
2369p2_pi_doner(30,0.1).
2370p2_polar(30,0.1).
2371p2_h_doner(30,0.1).
2372p2_h_acceptor(30,0.1).
2373p2_size(30,0.1).
2374p2_pi_acceptor(30,0.1).
2375p2_branch(30,0.1).
2376p2_sigma(30,0.1).
2377p2_polarisable(30,0.1).
2378p2_flex(31,0.1).
2379p2_pi_doner(31,0.1).
2380p2_polar(31,0.1).
2381p2_h_doner(31,0.1).
2382p2_h_acceptor(31,0.1).
2383p2_size(31,0.1).
2384p2_pi_acceptor(31,0.1).
2385p2_branch(31,0.1).
2386p2_sigma(31,0.1).
2387p2_polarisable(31,0.1).
2388p2_flex(32,0.1).
2389p2_pi_doner(32,0.1).
2390p2_polar(32,0.1).
2391p2_h_doner(32,0.1).
2392p2_h_acceptor(32,0.1).
2393p2_size(32,0.1).
2394p2_pi_acceptor(32,0.1).
2395p2_branch(32,0.1).
2396p2_sigma(32,0.1).
2397p2_polarisable(32,0.1).
2398p2_flex(33,0.1).
2399p2_pi_doner(33,0.1).
2400p2_polar(33,0.1).
2401p2_h_doner(33,0.1).
2402p2_h_acceptor(33,0.1).
2403p2_size(33,0.1).
2404p2_pi_acceptor(33,0.1).
2405p2_branch(33,0.1).
2406p2_sigma(33,0.1).
2407p2_polarisable(33,0.1).
2408p2_flex(34,0.1).
2409p2_pi_doner(34,0.1).
2410p2_polar(34,0.1).
2411p2_h_doner(34,0.1).
2412p2_h_acceptor(34,0.1).
2413p2_size(34,0.1).
2414p2_pi_acceptor(34,0.1).
2415p2_branch(34,0.1).
2416p2_sigma(34,0.1).
2417p2_polarisable(34,0.1).
2418p2_flex(35,0.1).
2419p2_pi_doner(35,0.1).
2420p2_polar(35,0.1).
2421p2_h_doner(35,0.1).
2422p2_h_acceptor(35,0.1).
2423p2_size(35,0.1).
2424p2_pi_acceptor(35,0.1).
2425p2_branch(35,0.1).
2426p2_sigma(35,0.1).
2427p2_polarisable(35,0.1).
2428p2_flex(36,0.1).
2429p2_pi_doner(36,0.1).
2430p2_polar(36,0.1).
2431p2_h_doner(36,0.1).
2432p2_h_acceptor(36,0.1).
2433p2_size(36,0.1).
2434p2_pi_acceptor(36,0.1).
2435p2_branch(36,0.1).
2436p2_sigma(36,0.1).
2437p2_polarisable(36,0.1).
2438p2_flex(37,0.1).
2439p2_pi_doner(37,0.1).
2440p2_polar(37,0.1).
2441p2_h_doner(37,0.1).
2442p2_h_acceptor(37,0.1).
2443p2_size(37,0.1).
2444p2_pi_acceptor(37,0.1).
2445p2_branch(37,0.1).
2446p2_sigma(37,0.1).
2447p2_polarisable(37,0.1).
2448p2_flex(38,0.1).
2449p2_pi_doner(38,0.1).
2450p2_polar(38,0.1).
2451p2_h_doner(38,0.1).
2452p2_h_acceptor(38,0.1).
2453p2_size(38,0.1).
2454p2_pi_acceptor(38,0.1).
2455p2_branch(38,0.1).
2456p2_sigma(38,0.1).
2457p2_polarisable(38,0.1).
2458p2_flex(39,0.1).
2459p2_pi_doner(39,0.1).
2460p2_polar(39,0.1).
2461p2_h_doner(39,0.1).
2462p2_h_acceptor(39,0.1).
2463p2_size(39,0.1).
2464p2_pi_acceptor(39,0.1).
2465p2_branch(39,0.1).
2466p2_sigma(39,0.1).
2467p2_polarisable(39,0.1).
2468p2_flex(40,0.1).
2469p2_pi_doner(40,0.1).
2470p2_polar(40,0.1).
2471p2_h_doner(40,0.1).
2472p2_h_acceptor(40,0.1).
2473p2_size(40,0.1).
2474p2_pi_acceptor(40,0.1).
2475p2_branch(40,0.1).
2476p2_sigma(40,0.1).
2477p2_polarisable(40,0.1).
2478p2_flex(41,0.1).
2479p2_pi_doner(41,0.1).
2480p2_polar(41,0.1).
2481p2_h_doner(41,0.1).
2482p2_h_acceptor(41,0.1).
2483p2_size(41,0.1).
2484p2_pi_acceptor(41,0.1).
2485p2_branch(41,0.1).
2486p2_sigma(41,0.1).
2487p2_polarisable(41,0.1).
2488p2_flex(42,0.1).
2489p2_pi_doner(42,0.1).
2490p2_polar(42,0.1).
2491p2_h_doner(42,0.1).
2492p2_h_acceptor(42,0.1).
2493p2_size(42,0.1).
2494p2_pi_acceptor(42,0.1).
2495p2_branch(42,0.1).
2496p2_sigma(42,0.1).
2497p2_polarisable(42,0.1).
2498p2_flex(43,0.1).
2499p2_pi_doner(43,0.1).
2500p2_polar(43,0.1).
2501p2_h_doner(43,0.1).
2502p2_h_acceptor(43,0.1).
2503p2_size(43,0.1).
2504p2_pi_acceptor(43,0.1).
2505p2_branch(43,0.1).
2506p2_sigma(43,0.1).
2507p2_polarisable(43,0.1).
2508p2_flex(44,0.1).
2509p2_pi_doner(44,0.1).
2510p2_polar(44,0.1).
2511p2_h_doner(44,0.1).
2512p2_h_acceptor(44,0.1).
2513p2_size(44,0.1).
2514p2_pi_acceptor(44,0.1).
2515p2_branch(44,0.1).
2516p2_sigma(44,0.1).
2517p2_polarisable(44,0.1).
2518p2_flex(45,0.1).
2519p2_pi_doner(45,0.1).
2520p2_polar(45,0.1).
2521p2_h_doner(45,0.1).
2522p2_h_acceptor(45,0.1).
2523p2_size(45,0.1).
2524p2_pi_acceptor(45,0.1).
2525p2_branch(45,0.1).
2526p2_sigma(45,0.1).
2527p2_polarisable(45,0.1).
2528p2_flex(46,0.1).
2529p2_pi_doner(46,0.1).
2530p2_polar(46,0.1).
2531p2_h_doner(46,0.1).
2532p2_h_acceptor(46,0.1).
2533p2_size(46,0.1).
2534p2_pi_acceptor(46,0.1).
2535p2_branch(46,0.1).
2536p2_sigma(46,0.1).
2537p2_polarisable(46,0.1).
2538p2_flex(47,0.1).
2539p2_pi_doner(47,0.1).
2540p2_polar(47,0.1).
2541p2_h_doner(47,0.1).
2542p2_h_acceptor(47,0.1).
2543p2_size(47,0.1).
2544p2_pi_acceptor(47,0.1).
2545p2_branch(47,0.1).
2546p2_sigma(47,0.1).
2547p2_polarisable(47,0.1).
2548p2_flex(48,0.1).
2549p2_pi_doner(48,0.1).
2550p2_polar(48,0.1).
2551p2_h_doner(48,0.1).
2552p2_h_acceptor(48,0.1).
2553p2_size(48,0.1).
2554p2_pi_acceptor(48,0.1).
2555p2_branch(48,0.1).
2556p2_sigma(48,0.1).
2557p2_polarisable(48,0.1).
2558p2_flex(49,0.1).
2559p2_pi_doner(49,0.1).
2560p2_polar(49,0.1).
2561p2_h_doner(49,0.1).
2562p2_h_acceptor(49,0.1).
2563p2_size(49,0.1).
2564p2_pi_acceptor(49,0.1).
2565p2_branch(49,0.1).
2566p2_sigma(49,0.1).
2567p2_polarisable(49,0.1).
2568p2_flex(50,0.1).
2569p2_pi_doner(50,0.1).
2570p2_polar(50,0.1).
2571p2_h_doner(50,0.1).
2572p2_h_acceptor(50,0.1).
2573p2_size(50,0.1).
2574p2_pi_acceptor(50,0.1).
2575p2_branch(50,0.1).
2576p2_sigma(50,0.1).
2577p2_polarisable(50,0.1).
2578p2_flex(51,0.1).
2579p2_pi_doner(51,0.1).
2580p2_polar(51,0.1).
2581p2_h_doner(51,0.1).
2582p2_h_acceptor(51,0.1).
2583p2_size(51,0.1).
2584p2_pi_acceptor(51,0.1).
2585p2_branch(51,0.1).
2586p2_sigma(51,0.1).
2587p2_polarisable(51,0.1).
2588p2_flex(52,0.1).
2589p2_pi_doner(52,0.1).
2590p2_polar(52,0.1).
2591p2_h_doner(52,0.1).
2592p2_h_acceptor(52,0.1).
2593p2_size(52,0.1).
2594p2_pi_acceptor(52,0.1).
2595p2_branch(52,0.1).
2596p2_sigma(52,0.1).
2597p2_polarisable(52,0.1).
2598p2_flex(53,0.1).
2599p2_pi_doner(53,0.1).
2600p2_polar(53,0.1).
2601p2_h_doner(53,0.1).
2602p2_h_acceptor(53,0.1).
2603p2_size(53,0.1).
2604p2_pi_acceptor(53,0.1).
2605p2_branch(53,0.1).
2606p2_sigma(53,0.1).
2607p2_polarisable(53,0.1).
2608p2_flex(54,0.1).
2609p2_pi_doner(54,0.1).
2610p2_polar(54,0.1).
2611p2_h_doner(54,0.1).
2612p2_h_acceptor(54,0.1).
2613p2_size(54,0.1).
2614p2_pi_acceptor(54,0.1).
2615p2_branch(54,0.1).
2616p2_sigma(54,0.1).
2617p2_polarisable(54,0.1).
2618p2_flex(55,0.1).
2619p2_pi_doner(55,0.1).
2620p2_polar(55,0.1).
2621p2_h_doner(55,0.1).
2622p2_h_acceptor(55,0.1).
2623p2_size(55,0.1).
2624p2_pi_acceptor(55,0.1).
2625p2_branch(55,0.1).
2626p2_sigma(55,0.1).
2627p2_polarisable(55,0.1).
2628p2_flex(56,0.1).
2629p2_pi_doner(56,0.1).
2630p2_polar(56,0.1).
2631p2_h_doner(56,0.1).
2632p2_h_acceptor(56,0.1).
2633p2_size(56,0.1).
2634p2_pi_acceptor(56,0.1).
2635p2_branch(56,0.1).
2636p2_sigma(56,0.1).
2637p2_polarisable(56,0.1).
2638p2_flex(57,0.1).
2639p2_pi_doner(57,0.1).
2640p2_polar(57,0.1).
2641p2_h_doner(57,0.1).
2642p2_h_acceptor(57,0.1).
2643p2_size(57,0.1).
2644p2_pi_acceptor(57,0.1).
2645p2_branch(57,0.1).
2646p2_sigma(57,0.1).
2647p2_polarisable(57,0.1).
2648p2_flex(58,0.1).
2649p2_pi_doner(58,0.1).
2650p2_polar(58,0.1).
2651p2_h_doner(58,0.1).
2652p2_h_acceptor(58,0.1).
2653p2_size(58,0.1).
2654p2_pi_acceptor(58,0.1).
2655p2_branch(58,0.1).
2656p2_sigma(58,0.1).
2657p2_polarisable(58,0.1).
2658p2_flex(59,0.1).
2659p2_pi_doner(59,0.1).
2660p2_polar(59,0.1).
2661p2_h_doner(59,0.1).
2662p2_h_acceptor(59,0.1).
2663p2_size(59,0.1).
2664p2_pi_acceptor(59,0.1).
2665p2_branch(59,0.1).
2666p2_sigma(59,0.1).
2667p2_polarisable(59,0.1).
2668p2_flex(60,0.1).
2669p2_pi_doner(60,0.1).
2670p2_polar(60,0.1).
2671p2_h_doner(60,0.1).
2672p2_h_acceptor(60,0.1).
2673p2_size(60,0.1).
2674p2_pi_acceptor(60,0.1).
2675p2_branch(60,0.1).
2676p2_sigma(60,0.1).
2677p2_polarisable(60,0.1).
2678p2_flex(61,0.1).
2679p2_pi_doner(61,0.1).
2680p2_polar(61,0.1).
2681p2_h_doner(61,0.1).
2682p2_h_acceptor(61,0.1).
2683p2_size(61,0.1).
2684p2_pi_acceptor(61,0.1).
2685p2_branch(61,0.1).
2686p2_sigma(61,0.1).
2687p2_polarisable(61,0.1).
2688p2_flex(62,0.1).
2689p2_pi_doner(62,0.1).
2690p2_polar(62,0.1).
2691p2_h_doner(62,0.1).
2692p2_h_acceptor(62,0.1).
2693p2_size(62,0.1).
2694p2_pi_acceptor(62,0.1).
2695p2_branch(62,0.1).
2696p2_sigma(62,0.1).
2697p2_polarisable(62,0.1).
2698p2_flex(63,0.1).
2699p2_pi_doner(63,0.1).
2700p2_polar(63,0.1).
2701p2_h_doner(63,0.1).
2702p2_h_acceptor(63,0.1).
2703p2_size(63,0.1).
2704p2_pi_acceptor(63,0.1).
2705p2_branch(63,0.1).
2706p2_sigma(63,0.1).
2707p2_polarisable(63,0.1).
2708p2_flex(64,0.1).
2709p2_pi_doner(64,0.1).
2710p2_polar(64,0.1).
2711p2_h_doner(64,0.1).
2712p2_h_acceptor(64,0.1).
2713p2_size(64,0.1).
2714p2_pi_acceptor(64,0.1).
2715p2_branch(64,0.1).
2716p2_sigma(64,0.1).
2717p2_polarisable(64,0.1).
2718p2_flex(65,0.1).
2719p2_pi_doner(65,0.1).
2720p2_polar(65,0.1).
2721p2_h_doner(65,0.1).
2722p2_h_acceptor(65,0.1).
2723p2_size(65,0.1).
2724p2_pi_acceptor(65,0.1).
2725p2_branch(65,0.1).
2726p2_sigma(65,0.1).
2727p2_polarisable(65,0.1).
2728p2_flex(66,0.1).
2729p2_pi_doner(66,0.1).
2730p2_polar(66,0.1).
2731p2_h_doner(66,0.1).
2732p2_h_acceptor(66,0.1).
2733p2_size(66,0.1).
2734p2_pi_acceptor(66,0.1).
2735p2_branch(66,0.1).
2736p2_sigma(66,0.1).
2737p2_polarisable(66,0.1).
2738p2_flex(67,0.1).
2739p2_pi_doner(67,0.1).
2740p2_polar(67,0.1).
2741p2_h_doner(67,0.1).
2742p2_h_acceptor(67,0.1).
2743p2_size(67,0.1).
2744p2_pi_acceptor(67,0.1).
2745p2_branch(67,0.1).
2746p2_sigma(67,0.1).
2747p2_polarisable(67,0.1).
2748p2_flex(68,0.1).
2749p2_pi_doner(68,0.1).
2750p2_polar(68,0.1).
2751p2_h_doner(68,0.1).
2752p2_h_acceptor(68,0.1).
2753p2_size(68,0.1).
2754p2_pi_acceptor(68,0.1).
2755p2_branch(68,0.1).
2756p2_sigma(68,0.1).
2757p2_polarisable(68,0.1).
2758p2_flex(69,0.1).
2759p2_pi_doner(69,0.1).
2760p2_polar(69,0.1).
2761p2_h_doner(69,0.1).
2762p2_h_acceptor(69,0.1).
2763p2_size(69,0.1).
2764p2_pi_acceptor(69,0.1).
2765p2_branch(69,0.1).
2766p2_sigma(69,0.1).
2767p2_polarisable(69,0.1).
2768p2_flex(70,0.1).
2769p2_pi_doner(70,0.1).
2770p2_polar(70,0.1).
2771p2_h_doner(70,0.1).
2772p2_h_acceptor(70,0.1).
2773p2_size(70,0.1).
2774p2_pi_acceptor(70,0.1).
2775p2_branch(70,0.1).
2776p2_sigma(70,0.1).
2777p2_polarisable(70,0.1).
2778p2_flex(71,0.1).
2779p2_pi_doner(71,0.1).
2780p2_polar(71,0.1).
2781p2_h_doner(71,0.1).
2782p2_h_acceptor(71,0.1).
2783p2_size(71,0.1).
2784p2_pi_acceptor(71,0.1).
2785p2_branch(71,0.1).
2786p2_sigma(71,0.1).
2787p2_polarisable(71,0.1).
2788p2_flex(72,0.1).
2789p2_pi_doner(72,0.1).
2790p2_polar(72,0.26).
2791p2_h_doner(72,0.1).
2792p2_h_acceptor(72,0.1).
2793p2_size(72,0.1).
2794p2_pi_acceptor(72,0.1).
2795p2_branch(72,0.1).
2796p2_sigma(72,0.1).
2797p2_polarisable(72,0.1).
2798p2_flex(73,0.1).
2799p2_pi_doner(73,0.1).
2800p2_polar(73,0.26).
2801p2_h_doner(73,0.1).
2802p2_h_acceptor(73,0.1).
2803p2_size(73,0.1).
2804p2_pi_acceptor(73,0.1).
2805p2_branch(73,0.1).
2806p2_sigma(73,0.1).
2807p2_polarisable(73,0.1).
2808p2_flex(74,0.1).
2809p2_pi_doner(74,0.1).
2810p2_polar(74,0.26).
2811p2_h_doner(74,0.1).
2812p2_h_acceptor(74,0.1).
2813p2_size(74,0.1).
2814p2_pi_acceptor(74,0.1).
2815p2_branch(74,0.1).
2816p2_sigma(74,0.1).
2817p2_polarisable(74,0.1).
2818p2_flex(75,0.1).
2819p2_pi_doner(75,0.1).
2820p2_polar(75,0.26).
2821p2_h_doner(75,0.1).
2822p2_h_acceptor(75,0.1).
2823p2_size(75,0.1).
2824p2_pi_acceptor(75,0.1).
2825p2_branch(75,0.1).
2826p2_sigma(75,0.1).
2827p2_polarisable(75,0.1).
2828p2_flex(76,0.1).
2829p2_pi_doner(76,0.1).
2830p2_polar(76,0.26).
2831p2_h_doner(76,0.1).
2832p2_h_acceptor(76,0.1).
2833p2_size(76,0.1).
2834p2_pi_acceptor(76,0.1).
2835p2_branch(76,0.1).
2836p2_sigma(76,0.1).
2837p2_polarisable(76,0.1).
2838p2_flex(77,0.1).
2839p2_pi_doner(77,0.1).
2840p2_polar(77,0.26).
2841p2_h_doner(77,0.1).
2842p2_h_acceptor(77,0.1).
2843p2_size(77,0.1).
2844p2_pi_acceptor(77,0.1).
2845p2_branch(77,0.1).
2846p2_sigma(77,0.1).
2847p2_polarisable(77,0.1).
2848p2_flex(78,0.1).
2849p2_pi_doner(78,0.1).
2850p2_polar(78,0.1).
2851p2_h_doner(78,0.1).
2852p2_h_acceptor(78,0.1).
2853p2_size(78,0.1).
2854p2_pi_acceptor(78,0.1).
2855p2_branch(78,0.1).
2856p2_sigma(78,0.1).
2857p2_polarisable(78,0.1).
2858p2_flex(79,0.1).
2859p2_pi_doner(79,0.1).
2860p2_polar(79,0.1).
2861p2_h_doner(79,0.1).
2862p2_h_acceptor(79,0.1).
2863p2_size(79,0.1).
2864p2_pi_acceptor(79,0.1).
2865p2_branch(79,0.1).
2866p2_sigma(79,0.1).
2867p2_polarisable(79,0.1).
2868p2_flex(80,0.1).
2869p2_pi_doner(80,0.1).
2870p2_polar(80,0.26).
2871p2_h_doner(80,0.1).
2872p2_h_acceptor(80,0.1).
2873p2_size(80,0.1).
2874p2_pi_acceptor(80,0.1).
2875p2_branch(80,0.1).
2876p2_sigma(80,0.1).
2877p2_polarisable(80,0.1).
2878p2_flex(81,0.1).
2879p2_pi_doner(81,0.1).
2880p2_polar(81,0.26).
2881p2_h_doner(81,0.1).
2882p2_h_acceptor(81,0.1).
2883p2_size(81,0.1).
2884p2_pi_acceptor(81,0.1).
2885p2_branch(81,0.1).
2886p2_sigma(81,0.1).
2887p2_polarisable(81,0.1).
2888p2_flex(82,0.1).
2889p2_pi_doner(82,0.1).
2890p2_polar(82,0.26).
2891p2_h_doner(82,0.1).
2892p2_h_acceptor(82,0.1).
2893p2_size(82,0.1).
2894p2_pi_acceptor(82,0.1).
2895p2_branch(82,0.1).
2896p2_sigma(82,0.1).
2897p2_polarisable(82,0.1).
2898p2_flex(83,0.1).
2899p2_pi_doner(83,0.1).
2900p2_polar(83,0.26).
2901p2_h_doner(83,0.1).
2902p2_h_acceptor(83,0.1).
2903p2_size(83,0.1).
2904p2_pi_acceptor(83,0.1).
2905p2_branch(83,0.1).
2906p2_sigma(83,0.1).
2907p2_polarisable(83,0.1).
2908p2_flex(84,0.9).
2909p2_pi_doner(84,0.9).
2910p2_polar(84,0.42).
2911p2_h_doner(84,0.9).
2912p2_h_acceptor(84,0.9).
2913p2_size(84,0.9).
2914p2_pi_acceptor(84,0.1).
2915p2_branch(84,0.5).
2916p2_sigma(84,0.367).
2917p2_polarisable(84,0.5).
2918p2_flex(85,0.1).
2919p2_pi_doner(85,0.1).
2920p2_polar(85,0.58).
2921p2_h_doner(85,0.1).
2922p2_h_acceptor(85,0.1).
2923p2_size(85,0.367).
2924p2_pi_acceptor(85,0.1).
2925p2_branch(85,0.1).
2926p2_sigma(85,0.9).
2927p2_polarisable(85,0.5).
2928p2_flex(86,0.1).
2929p2_pi_doner(86,0.1).
2930p2_polar(86,0.74).
2931p2_h_doner(86,0.1).
2932p2_h_acceptor(86,0.1).
2933p2_size(86,0.633).
2934p2_pi_acceptor(86,0.5).
2935p2_branch(86,0.9).
2936p2_sigma(86,0.633).
2937p2_polarisable(86,0.9).
2938p2_flex(87,0.1).
2939p2_pi_doner(87,0.1).
2940p2_polar(87,0.74).
2941p2_h_doner(87,0.1).
2942p2_h_acceptor(87,0.1).
2943p2_size(87,0.633).
2944p2_pi_acceptor(87,0.5).
2945p2_branch(87,0.9).
2946p2_sigma(87,0.633).
2947p2_polarisable(87,0.9).
2948p2_flex(88,0.1).
2949p2_pi_doner(88,0.1).
2950p2_polar(88,0.1).
2951p2_h_doner(88,0.1).
2952p2_h_acceptor(88,0.1).
2953p2_size(88,0.1).
2954p2_pi_acceptor(88,0.1).
2955p2_branch(88,0.1).
2956p2_sigma(88,0.1).
2957p2_polarisable(88,0.1).
2958p2_flex(89,0.1).
2959p2_pi_doner(89,0.1).
2960p2_polar(89,0.26).
2961p2_h_doner(89,0.1).
2962p2_h_acceptor(89,0.1).
2963p2_size(89,0.1).
2964p2_pi_acceptor(89,0.1).
2965p2_branch(89,0.1).
2966p2_sigma(89,0.1).
2967p2_polarisable(89,0.1).
2968p2_flex(90,0.1).
2969p2_pi_doner(90,0.1).
2970p2_polar(90,0.26).
2971p2_h_doner(90,0.1).
2972p2_h_acceptor(90,0.1).
2973p2_size(90,0.1).
2974p2_pi_acceptor(90,0.1).
2975p2_branch(90,0.1).
2976p2_sigma(90,0.1).
2977p2_polarisable(90,0.1).
2978p2_flex(91,0.1).
2979p2_pi_doner(91,0.1).
2980p2_polar(91,0.1).
2981p2_h_doner(91,0.1).
2982p2_h_acceptor(91,0.1).
2983p2_size(91,0.1).
2984p2_pi_acceptor(91,0.1).
2985p2_branch(91,0.1).
2986p2_sigma(91,0.1).
2987p2_polarisable(91,0.1).
2988p2_flex(92,0.1).
2989p2_pi_doner(92,0.1).
2990p2_polar(92,0.26).
2991p2_h_doner(92,0.1).
2992p2_h_acceptor(92,0.1).
2993p2_size(92,0.1).
2994p2_pi_acceptor(92,0.1).
2995p2_branch(92,0.1).
2996p2_sigma(92,0.1).
2997p2_polarisable(92,0.1).
2998p2_flex(93,0.1).
2999p2_pi_doner(93,0.1).
3000p2_polar(93,0.74).
3001p2_h_doner(93,0.1).
3002p2_h_acceptor(93,0.1).
3003p2_size(93,0.633).
3004p2_pi_acceptor(93,0.5).
3005p2_branch(93,0.9).
3006p2_sigma(93,0.633).
3007p2_polarisable(93,0.9).
3008p2_flex(94,0.9).
3009p2_pi_doner(94,0.9).
3010p2_polar(94,0.42).
3011p2_h_doner(94,0.9).
3012p2_h_acceptor(94,0.9).
3013p2_size(94,0.9).
3014p2_pi_acceptor(94,0.1).
3015p2_branch(94,0.5).
3016p2_sigma(94,0.367).
3017p2_polarisable(94,0.5).
3018p2_flex(95,0.1).
3019p2_pi_doner(95,0.1).
3020p2_polar(95,0.1).
3021p2_h_doner(95,0.1).
3022p2_h_acceptor(95,0.1).
3023p2_size(95,0.1).
3024p2_pi_acceptor(95,0.1).
3025p2_branch(95,0.1).
3026p2_sigma(95,0.1).
3027p2_polarisable(95,0.1).
3028p2_flex(96,0.1).
3029p2_pi_doner(96,0.1).
3030p2_polar(96,0.26).
3031p2_h_doner(96,0.1).
3032p2_h_acceptor(96,0.1).
3033p2_size(96,0.1).
3034p2_pi_acceptor(96,0.1).
3035p2_branch(96,0.1).
3036p2_sigma(96,0.1).
3037p2_polarisable(96,0.1).
3038p2_flex(97,0.1).
3039p2_pi_doner(97,0.1).
3040p2_polar(97,0.26).
3041p2_h_doner(97,0.1).
3042p2_h_acceptor(97,0.1).
3043p2_size(97,0.1).
3044p2_pi_acceptor(97,0.1).
3045p2_branch(97,0.1).
3046p2_sigma(97,0.1).
3047p2_polarisable(97,0.1).
3048p2_flex(98,0.1).
3049p2_pi_doner(98,0.1).
3050p2_polar(98,0.26).
3051p2_h_doner(98,0.1).
3052p2_h_acceptor(98,0.1).
3053p2_size(98,0.1).
3054p2_pi_acceptor(98,0.1).
3055p2_branch(98,0.1).
3056p2_sigma(98,0.1).
3057p2_polarisable(98,0.1).
3058p2_flex(99,0.1).
3059p2_pi_doner(99,0.1).
3060p2_polar(99,0.26).
3061p2_h_doner(99,0.1).
3062p2_h_acceptor(99,0.1).
3063p2_size(99,0.1).
3064p2_pi_acceptor(99,0.1).
3065p2_branch(99,0.1).
3066p2_sigma(99,0.1).
3067p2_polarisable(99,0.1).
3068p2_flex(100,0.1).
3069p2_pi_doner(100,0.1).
3070p2_polar(100,0.26).
3071p2_h_doner(100,0.1).
3072p2_h_acceptor(100,0.1).
3073p2_size(100,0.1).
3074p2_pi_acceptor(100,0.1).
3075p2_branch(100,0.1).
3076p2_sigma(100,0.1).
3077p2_polarisable(100,0.1).
3078p2_flex(101,0.1).
3079p2_pi_doner(101,0.1).
3080p2_polar(101,0.26).
3081p2_h_doner(101,0.1).
3082p2_h_acceptor(101,0.1).
3083p2_size(101,0.1).
3084p2_pi_acceptor(101,0.1).
3085p2_branch(101,0.1).
3086p2_sigma(101,0.1).
3087p2_polarisable(101,0.1).
3088p2_flex(102,0.1).
3089p2_pi_doner(102,0.1).
3090p2_polar(102,0.26).
3091p2_h_doner(102,0.1).
3092p2_h_acceptor(102,0.1).
3093p2_size(102,0.1).
3094p2_pi_acceptor(102,0.1).
3095p2_branch(102,0.1).
3096p2_sigma(102,0.1).
3097p2_polarisable(102,0.1).
3098p2_flex(103,0.9).
3099p2_pi_doner(103,0.9).
3100p2_polar(103,0.42).
3101p2_h_doner(103,0.9).
3102p2_h_acceptor(103,0.9).
3103p2_size(103,0.9).
3104p2_pi_acceptor(103,0.1).
3105p2_branch(103,0.5).
3106p2_sigma(103,0.367).
3107p2_polarisable(103,0.5).
3108p2_flex(104,0.1).
3109p2_pi_doner(104,0.1).
3110p2_polar(104,0.26).
3111p2_h_doner(104,0.1).
3112p2_h_acceptor(104,0.1).
3113p2_size(104,0.1).
3114p2_pi_acceptor(104,0.1).
3115p2_branch(104,0.1).
3116p2_sigma(104,0.1).
3117p2_polarisable(104,0.1).
3118p2_flex(105,0.1).
3119p2_pi_doner(105,0.1).
3120p2_polar(105,0.26).
3121p2_h_doner(105,0.1).
3122p2_h_acceptor(105,0.1).
3123p2_size(105,0.1).
3124p2_pi_acceptor(105,0.1).
3125p2_branch(105,0.1).
3126p2_sigma(105,0.1).
3127p2_polarisable(105,0.1).
3128p2_flex(106,0.1).
3129p2_pi_doner(106,0.1).
3130p2_polar(106,0.26).
3131p2_h_doner(106,0.1).
3132p2_h_acceptor(106,0.1).
3133p2_size(106,0.1).
3134p2_pi_acceptor(106,0.1).
3135p2_branch(106,0.1).
3136p2_sigma(106,0.1).
3137p2_polarisable(106,0.1).
3138p2_flex(107,0.9).
3139p2_pi_doner(107,0.9).
3140p2_polar(107,0.42).
3141p2_h_doner(107,0.9).
3142p2_h_acceptor(107,0.9).
3143p2_size(107,0.9).
3144p2_pi_acceptor(107,0.1).
3145p2_branch(107,0.5).
3146p2_sigma(107,0.367).
3147p2_polarisable(107,0.5).
3148p2_flex(108,0.1).
3149p2_pi_doner(108,0.1).
3150p2_polar(108,0.1).
3151p2_h_doner(108,0.1).
3152p2_h_acceptor(108,0.1).
3153p2_size(108,0.1).
3154p2_pi_acceptor(108,0.1).
3155p2_branch(108,0.1).
3156p2_sigma(108,0.1).
3157p2_polarisable(108,0.1).
3158p2_flex(109,0.1).
3159p2_pi_doner(109,0.1).
3160p2_polar(109,0.26).
3161p2_h_doner(109,0.1).
3162p2_h_acceptor(109,0.1).
3163p2_size(109,0.1).
3164p2_pi_acceptor(109,0.1).
3165p2_branch(109,0.1).
3166p2_sigma(109,0.1).
3167p2_polarisable(109,0.1).
3168p2_flex(110,0.1).
3169p2_pi_doner(110,0.1).
3170p2_polar(110,0.42).
3171p2_h_doner(110,0.1).
3172p2_h_acceptor(110,0.9).
3173p2_size(110,0.633).
3174p2_pi_acceptor(110,0.1).
3175p2_branch(110,0.1).
3176p2_sigma(110,0.367).
3177p2_polarisable(110,0.5).
3178p2_flex(111,0.1).
3179p2_pi_doner(111,0.1).
3180p2_polar(111,0.58).
3181p2_h_doner(111,0.1).
3182p2_h_acceptor(111,0.1).
3183p2_size(111,0.367).
3184p2_pi_acceptor(111,0.1).
3185p2_branch(111,0.1).
3186p2_sigma(111,0.9).
3187p2_polarisable(111,0.5).
3188p2_flex(112,0.1).
3189p2_pi_doner(112,0.1).
3190p2_polar(112,0.74).
3191p2_h_doner(112,0.1).
3192p2_h_acceptor(112,0.9).
3193p2_size(112,0.367).
3194p2_pi_acceptor(112,0.9).
3195p2_branch(112,0.1).
3196p2_sigma(112,0.1).
3197p2_polarisable(112,0.9).
3198p2_flex(113,0.1).
3199p2_pi_doner(113,0.1).
3200p2_polar(113,0.74).
3201p2_h_doner(113,0.1).
3202p2_h_acceptor(113,0.1).
3203p2_size(113,0.633).
3204p2_pi_acceptor(113,0.5).
3205p2_branch(113,0.9).
3206p2_sigma(113,0.633).
3207p2_polarisable(113,0.9).
3208p2_flex(114,0.1).
3209p2_pi_doner(114,0.1).
3210p2_polar(114,0.9).
3211p2_h_doner(114,0.1).
3212p2_h_acceptor(114,0.1).
3213p2_size(114,0.633).
3214p2_pi_acceptor(114,0.9).
3215p2_branch(114,0.5).
3216p2_sigma(114,0.9).
3217p2_polarisable(114,0.1).
3218p2_flex(115,0.1).
3219p2_pi_doner(115,0.1).
3220p2_polar(115,0.1).
3221p2_h_doner(115,0.1).
3222p2_h_acceptor(115,0.1).
3223p2_size(115,0.1).
3224p2_pi_acceptor(115,0.1).
3225p2_branch(115,0.1).
3226p2_sigma(115,0.1).
3227p2_polarisable(115,0.1).
3228p2_flex(116,0.1).
3229p2_pi_doner(116,0.1).
3230p2_polar(116,0.26).
3231p2_h_doner(116,0.1).
3232p2_h_acceptor(116,0.1).
3233p2_size(116,0.1).
3234p2_pi_acceptor(116,0.1).
3235p2_branch(116,0.1).
3236p2_sigma(116,0.1).
3237p2_polarisable(116,0.1).
3238p2_flex(117,0.1).
3239p2_pi_doner(117,0.1).
3240p2_polar(117,0.26).
3241p2_h_doner(117,0.1).
3242p2_h_acceptor(117,0.1).
3243p2_size(117,0.1).
3244p2_pi_acceptor(117,0.1).
3245p2_branch(117,0.1).
3246p2_sigma(117,0.1).
3247p2_polarisable(117,0.1).
3248p2_flex(118,0.1).
3249p2_pi_doner(118,0.1).
3250p2_polar(118,0.26).
3251p2_h_doner(118,0.1).
3252p2_h_acceptor(118,0.1).
3253p2_size(118,0.1).
3254p2_pi_acceptor(118,0.1).
3255p2_branch(118,0.1).
3256p2_sigma(118,0.1).
3257p2_polarisable(118,0.1).
3258p2_flex(119,0.1).
3259p2_pi_doner(119,0.1).
3260p2_polar(119,0.1).
3261p2_h_doner(119,0.1).
3262p2_h_acceptor(119,0.1).
3263p2_size(119,0.1).
3264p2_pi_acceptor(119,0.1).
3265p2_branch(119,0.1).
3266p2_sigma(119,0.1).
3267p2_polarisable(119,0.1).
3268p2_flex(120,0.1).
3269p2_pi_doner(120,0.1).
3270p2_polar(120,0.26).
3271p2_h_doner(120,0.1).
3272p2_h_acceptor(120,0.1).
3273p2_size(120,0.1).
3274p2_pi_acceptor(120,0.1).
3275p2_branch(120,0.1).
3276p2_sigma(120,0.1).
3277p2_polarisable(120,0.1).
3278p2_flex(121,0.1).
3279p2_pi_doner(121,0.1).
3280p2_polar(121,0.1).
3281p2_h_doner(121,0.1).
3282p2_h_acceptor(121,0.1).
3283p2_size(121,0.1).
3284p2_pi_acceptor(121,0.1).
3285p2_branch(121,0.1).
3286p2_sigma(121,0.1).
3287p2_polarisable(121,0.1).
3288p2_flex(122,0.1).
3289p2_pi_doner(122,0.1).
3290p2_polar(122,0.1).
3291p2_h_doner(122,0.1).
3292p2_h_acceptor(122,0.1).
3293p2_size(122,0.1).
3294p2_pi_acceptor(122,0.1).
3295p2_branch(122,0.1).
3296p2_sigma(122,0.1).
3297p2_polarisable(122,0.1).
3298p2_flex(123,0.1).
3299p2_pi_doner(123,0.1).
3300p2_polar(123,0.26).
3301p2_h_doner(123,0.1).
3302p2_h_acceptor(123,0.1).
3303p2_size(123,0.1).
3304p2_pi_acceptor(123,0.1).
3305p2_branch(123,0.1).
3306p2_sigma(123,0.1).
3307p2_polarisable(123,0.1).
3308p2_flex(124,0.1).
3309p2_pi_doner(124,0.1).
3310p2_polar(124,0.1).
3311p2_h_doner(124,0.1).
3312p2_h_acceptor(124,0.1).
3313p2_size(124,0.1).
3314p2_pi_acceptor(124,0.1).
3315p2_branch(124,0.1).
3316p2_sigma(124,0.1).
3317p2_polarisable(124,0.1).
3318p2_flex(125,0.1).
3319p2_pi_doner(125,0.1).
3320p2_polar(125,0.1).
3321p2_h_doner(125,0.1).
3322p2_h_acceptor(125,0.1).
3323p2_size(125,0.1).
3324p2_pi_acceptor(125,0.1).
3325p2_branch(125,0.1).
3326p2_sigma(125,0.1).
3327p2_polarisable(125,0.1).
3328p2_flex(126,0.1).
3329p2_pi_doner(126,0.1).
3330p2_polar(126,0.1).
3331p2_h_doner(126,0.1).
3332p2_h_acceptor(126,0.1).
3333p2_size(126,0.1).
3334p2_pi_acceptor(126,0.1).
3335p2_branch(126,0.1).
3336p2_sigma(126,0.1).
3337p2_polarisable(126,0.1).
3338p2_flex(127,0.1).
3339p2_pi_doner(127,0.1).
3340p2_polar(127,0.1).
3341p2_h_doner(127,0.1).
3342p2_h_acceptor(127,0.1).
3343p2_size(127,0.1).
3344p2_pi_acceptor(127,0.1).
3345p2_branch(127,0.1).
3346p2_sigma(127,0.1).
3347p2_polarisable(127,0.1).
3348p2_flex(128,0.1).
3349p2_pi_doner(128,0.1).
3350p2_polar(128,0.1).
3351p2_h_doner(128,0.1).
3352p2_h_acceptor(128,0.1).
3353p2_size(128,0.1).
3354p2_pi_acceptor(128,0.1).
3355p2_branch(128,0.1).
3356p2_sigma(128,0.1).
3357p2_polarisable(128,0.1).
3358p2_flex(129,0.1).
3359p2_pi_doner(129,0.1).
3360p2_polar(129,0.1).
3361p2_h_doner(129,0.1).
3362p2_h_acceptor(129,0.1).
3363p2_size(129,0.1).
3364p2_pi_acceptor(129,0.1).
3365p2_branch(129,0.1).
3366p2_sigma(129,0.1).
3367p2_polarisable(129,0.1).
3368p2_flex(130,0.1).
3369p2_pi_doner(130,0.1).
3370p2_polar(130,0.1).
3371p2_h_doner(130,0.1).
3372p2_h_acceptor(130,0.1).
3373p2_size(130,0.1).
3374p2_pi_acceptor(130,0.1).
3375p2_branch(130,0.1).
3376p2_sigma(130,0.1).
3377p2_polarisable(130,0.1).
3378p2_flex(131,0.1).
3379p2_pi_doner(131,0.1).
3380p2_polar(131,0.1).
3381p2_h_doner(131,0.1).
3382p2_h_acceptor(131,0.1).
3383p2_size(131,0.1).
3384p2_pi_acceptor(131,0.1).
3385p2_branch(131,0.1).
3386p2_sigma(131,0.1).
3387p2_polarisable(131,0.1).
3388p2_flex(132,0.1).
3389p2_pi_doner(132,0.1).
3390p2_polar(132,0.1).
3391p2_h_doner(132,0.1).
3392p2_h_acceptor(132,0.1).
3393p2_size(132,0.1).
3394p2_pi_acceptor(132,0.1).
3395p2_branch(132,0.1).
3396p2_sigma(132,0.1).
3397p2_polarisable(132,0.1).
3398p2_flex(133,0.1).
3399p2_pi_doner(133,0.1).
3400p2_polar(133,0.1).
3401p2_h_doner(133,0.1).
3402p2_h_acceptor(133,0.1).
3403p2_size(133,0.1).
3404p2_pi_acceptor(133,0.1).
3405p2_branch(133,0.1).
3406p2_sigma(133,0.1).
3407p2_polarisable(133,0.1).
3408p2_flex(134,0.1).
3409p2_pi_doner(134,0.1).
3410p2_polar(134,0.1).
3411p2_h_doner(134,0.1).
3412p2_h_acceptor(134,0.1).
3413p2_size(134,0.1).
3414p2_pi_acceptor(134,0.1).
3415p2_branch(134,0.1).
3416p2_sigma(134,0.1).
3417p2_polarisable(134,0.1).
3418p2_flex(135,0.1).
3419p2_pi_doner(135,0.1).
3420p2_polar(135,0.1).
3421p2_h_doner(135,0.1).
3422p2_h_acceptor(135,0.1).
3423p2_size(135,0.1).
3424p2_pi_acceptor(135,0.1).
3425p2_branch(135,0.1).
3426p2_sigma(135,0.1).
3427p2_polarisable(135,0.1).
3428p2_flex(136,0.1).
3429p2_pi_doner(136,0.1).
3430p2_polar(136,0.1).
3431p2_h_doner(136,0.1).
3432p2_h_acceptor(136,0.1).
3433p2_size(136,0.1).
3434p2_pi_acceptor(136,0.1).
3435p2_branch(136,0.1).
3436p2_sigma(136,0.1).
3437p2_polarisable(136,0.1).
3438p2_flex(137,0.1).
3439p2_pi_doner(137,0.1).
3440p2_polar(137,0.1).
3441p2_h_doner(137,0.1).
3442p2_h_acceptor(137,0.1).
3443p2_size(137,0.1).
3444p2_pi_acceptor(137,0.1).
3445p2_branch(137,0.1).
3446p2_sigma(137,0.1).
3447p2_polarisable(137,0.1).
3448p2_flex(138,0.1).
3449p2_pi_doner(138,0.1).
3450p2_polar(138,0.1).
3451p2_h_doner(138,0.1).
3452p2_h_acceptor(138,0.1).
3453p2_size(138,0.1).
3454p2_pi_acceptor(138,0.1).
3455p2_branch(138,0.1).
3456p2_sigma(138,0.1).
3457p2_polarisable(138,0.1).
3458p2_flex(139,0.1).
3459p2_pi_doner(139,0.1).
3460p2_polar(139,0.1).
3461p2_h_doner(139,0.1).
3462p2_h_acceptor(139,0.1).
3463p2_size(139,0.1).
3464p2_pi_acceptor(139,0.1).
3465p2_branch(139,0.1).
3466p2_sigma(139,0.1).
3467p2_polarisable(139,0.1).
3468p2_flex(140,0.1).
3469p2_pi_doner(140,0.1).
3470p2_polar(140,0.1).
3471p2_h_doner(140,0.1).
3472p2_h_acceptor(140,0.1).
3473p2_size(140,0.1).
3474p2_pi_acceptor(140,0.1).
3475p2_branch(140,0.1).
3476p2_sigma(140,0.1).
3477p2_polarisable(140,0.1).
3478p2_flex(141,0.1).
3479p2_pi_doner(141,0.1).
3480p2_polar(141,0.1).
3481p2_h_doner(141,0.1).
3482p2_h_acceptor(141,0.1).
3483p2_size(141,0.1).
3484p2_pi_acceptor(141,0.1).
3485p2_branch(141,0.1).
3486p2_sigma(141,0.1).
3487p2_polarisable(141,0.1).
3488p2_flex(142,0.1).
3489p2_pi_doner(142,0.1).
3490p2_polar(142,0.1).
3491p2_h_doner(142,0.1).
3492p2_h_acceptor(142,0.1).
3493p2_size(142,0.1).
3494p2_pi_acceptor(142,0.1).
3495p2_branch(142,0.1).
3496p2_sigma(142,0.1).
3497p2_polarisable(142,0.1).
3498p2_flex(143,0.1).
3499p2_pi_doner(143,0.1).
3500p2_polar(143,0.1).
3501p2_h_doner(143,0.1).
3502p2_h_acceptor(143,0.1).
3503p2_size(143,0.1).
3504p2_pi_acceptor(143,0.1).
3505p2_branch(143,0.1).
3506p2_sigma(143,0.1).
3507p2_polarisable(143,0.1).
3508p2_flex(144,0.1).
3509p2_pi_doner(144,0.1).
3510p2_polar(144,0.1).
3511p2_h_doner(144,0.1).
3512p2_h_acceptor(144,0.1).
3513p2_size(144,0.1).
3514p2_pi_acceptor(144,0.1).
3515p2_branch(144,0.1).
3516p2_sigma(144,0.1).
3517p2_polarisable(144,0.1).
3518p2_flex(145,0.1).
3519p2_pi_doner(145,0.1).
3520p2_polar(145,0.1).
3521p2_h_doner(145,0.1).
3522p2_h_acceptor(145,0.1).
3523p2_size(145,0.1).
3524p2_pi_acceptor(145,0.1).
3525p2_branch(145,0.1).
3526p2_sigma(145,0.1).
3527p2_polarisable(145,0.1).
3528p2_flex(146,0.1).
3529p2_pi_doner(146,0.1).
3530p2_polar(146,0.1).
3531p2_h_doner(146,0.1).
3532p2_h_acceptor(146,0.1).
3533p2_size(146,0.1).
3534p2_pi_acceptor(146,0.1).
3535p2_branch(146,0.1).
3536p2_sigma(146,0.1).
3537p2_polarisable(146,0.1).
3538p2_flex(147,0.1).
3539p2_pi_doner(147,0.1).
3540p2_polar(147,0.1).
3541p2_h_doner(147,0.1).
3542p2_h_acceptor(147,0.1).
3543p2_size(147,0.1).
3544p2_pi_acceptor(147,0.1).
3545p2_branch(147,0.1).
3546p2_sigma(147,0.1).
3547p2_polarisable(147,0.1).
3548p2_flex(148,0.1).
3549p2_pi_doner(148,0.1).
3550p2_polar(148,0.1).
3551p2_h_doner(148,0.1).
3552p2_h_acceptor(148,0.1).
3553p2_size(148,0.1).
3554p2_pi_acceptor(148,0.1).
3555p2_branch(148,0.1).
3556p2_sigma(148,0.1).
3557p2_polarisable(148,0.1).
3558p2_flex(149,0.1).
3559p2_pi_doner(149,0.1).
3560p2_polar(149,0.1).
3561p2_h_doner(149,0.1).
3562p2_h_acceptor(149,0.1).
3563p2_size(149,0.1).
3564p2_pi_acceptor(149,0.1).
3565p2_branch(149,0.1).
3566p2_sigma(149,0.1).
3567p2_polarisable(149,0.1).
3568p2_flex(150,0.1).
3569p2_pi_doner(150,0.1).
3570p2_polar(150,0.1).
3571p2_h_doner(150,0.1).
3572p2_h_acceptor(150,0.1).
3573p2_size(150,0.1).
3574p2_pi_acceptor(150,0.1).
3575p2_branch(150,0.1).
3576p2_sigma(150,0.1).
3577p2_polarisable(150,0.1).
3578p2_flex(151,0.1).
3579p2_pi_doner(151,0.1).
3580p2_polar(151,0.1).
3581p2_h_doner(151,0.1).
3582p2_h_acceptor(151,0.1).
3583p2_size(151,0.1).
3584p2_pi_acceptor(151,0.1).
3585p2_branch(151,0.1).
3586p2_sigma(151,0.1).
3587p2_polarisable(151,0.1).
3588p2_flex(152,0.1).
3589p2_pi_doner(152,0.1).
3590p2_polar(152,0.1).
3591p2_h_doner(152,0.1).
3592p2_h_acceptor(152,0.1).
3593p2_size(152,0.1).
3594p2_pi_acceptor(152,0.1).
3595p2_branch(152,0.1).
3596p2_sigma(152,0.1).
3597p2_polarisable(152,0.1).
3598p2_flex(153,0.1).
3599p2_pi_doner(153,0.1).
3600p2_polar(153,0.1).
3601p2_h_doner(153,0.1).
3602p2_h_acceptor(153,0.1).
3603p2_size(153,0.1).
3604p2_pi_acceptor(153,0.1).
3605p2_branch(153,0.1).
3606p2_sigma(153,0.1).
3607p2_polarisable(153,0.1).
3608p2_flex(154,0.1).
3609p2_pi_doner(154,0.1).
3610p2_polar(154,0.1).
3611p2_h_doner(154,0.1).
3612p2_h_acceptor(154,0.1).
3613p2_size(154,0.1).
3614p2_pi_acceptor(154,0.1).
3615p2_branch(154,0.1).
3616p2_sigma(154,0.1).
3617p2_polarisable(154,0.1).
3618p2_flex(155,0.1).
3619p2_pi_doner(155,0.1).
3620p2_polar(155,0.1).
3621p2_h_doner(155,0.1).
3622p2_h_acceptor(155,0.1).
3623p2_size(155,0.1).
3624p2_pi_acceptor(155,0.1).
3625p2_branch(155,0.1).
3626p2_sigma(155,0.1).
3627p2_polarisable(155,0.1).
3628p2_flex(156,0.1).
3629p2_pi_doner(156,0.1).
3630p2_polar(156,0.1).
3631p2_h_doner(156,0.1).
3632p2_h_acceptor(156,0.1).
3633p2_size(156,0.1).
3634p2_pi_acceptor(156,0.1).
3635p2_branch(156,0.1).
3636p2_sigma(156,0.1).
3637p2_polarisable(156,0.1).
3638p2_flex(157,0.1).
3639p2_pi_doner(157,0.1).
3640p2_polar(157,0.1).
3641p2_h_doner(157,0.1).
3642p2_h_acceptor(157,0.1).
3643p2_size(157,0.1).
3644p2_pi_acceptor(157,0.1).
3645p2_branch(157,0.1).
3646p2_sigma(157,0.1).
3647p2_polarisable(157,0.1).
3648p2_flex(158,0.1).
3649p2_pi_doner(158,0.1).
3650p2_polar(158,0.1).
3651p2_h_doner(158,0.1).
3652p2_h_acceptor(158,0.1).
3653p2_size(158,0.1).
3654p2_pi_acceptor(158,0.1).
3655p2_branch(158,0.1).
3656p2_sigma(158,0.1).
3657p2_polarisable(158,0.1).
3658p2_flex(159,0.1).
3659p2_pi_doner(159,0.1).
3660p2_polar(159,0.1).
3661p2_h_doner(159,0.1).
3662p2_h_acceptor(159,0.1).
3663p2_size(159,0.1).
3664p2_pi_acceptor(159,0.1).
3665p2_branch(159,0.1).
3666p2_sigma(159,0.1).
3667p2_polarisable(159,0.1).
3668p2_flex(160,0.1).
3669p2_pi_doner(160,0.1).
3670p2_polar(160,0.1).
3671p2_h_doner(160,0.1).
3672p2_h_acceptor(160,0.1).
3673p2_size(160,0.1).
3674p2_pi_acceptor(160,0.1).
3675p2_branch(160,0.1).
3676p2_sigma(160,0.1).
3677p2_polarisable(160,0.1).
3678p2_flex(161,0.1).
3679p2_pi_doner(161,0.1).
3680p2_polar(161,0.1).
3681p2_h_doner(161,0.1).
3682p2_h_acceptor(161,0.1).
3683p2_size(161,0.1).
3684p2_pi_acceptor(161,0.1).
3685p2_branch(161,0.1).
3686p2_sigma(161,0.1).
3687p2_polarisable(161,0.1).
3688p2_flex(162,0.1).
3689p2_pi_doner(162,0.1).
3690p2_polar(162,0.1).
3691p2_h_doner(162,0.1).
3692p2_h_acceptor(162,0.1).
3693p2_size(162,0.1).
3694p2_pi_acceptor(162,0.1).
3695p2_branch(162,0.1).
3696p2_sigma(162,0.1).
3697p2_polarisable(162,0.1).
3698p2_flex(163,0.1).
3699p2_pi_doner(163,0.1).
3700p2_polar(163,0.1).
3701p2_h_doner(163,0.1).
3702p2_h_acceptor(163,0.1).
3703p2_size(163,0.1).
3704p2_pi_acceptor(163,0.1).
3705p2_branch(163,0.1).
3706p2_sigma(163,0.1).
3707p2_polarisable(163,0.1).
3708p2_flex(164,0.1).
3709p2_pi_doner(164,0.1).
3710p2_polar(164,0.1).
3711p2_h_doner(164,0.1).
3712p2_h_acceptor(164,0.1).
3713p2_size(164,0.1).
3714p2_pi_acceptor(164,0.1).
3715p2_branch(164,0.1).
3716p2_sigma(164,0.1).
3717p2_polarisable(164,0.1).
3718p2_flex(165,0.1).
3719p2_pi_doner(165,0.1).
3720p2_polar(165,0.1).
3721p2_h_doner(165,0.1).
3722p2_h_acceptor(165,0.1).
3723p2_size(165,0.1).
3724p2_pi_acceptor(165,0.1).
3725p2_branch(165,0.1).
3726p2_sigma(165,0.1).
3727p2_polarisable(165,0.1).
3728p2_flex(166,0.1).
3729p2_pi_doner(166,0.1).
3730p2_polar(166,0.1).
3731p2_h_doner(166,0.1).
3732p2_h_acceptor(166,0.1).
3733p2_size(166,0.1).
3734p2_pi_acceptor(166,0.1).
3735p2_branch(166,0.1).
3736p2_sigma(166,0.1).
3737p2_polarisable(166,0.1).
3738p2_flex(167,0.1).
3739p2_pi_doner(167,0.1).
3740p2_polar(167,0.1).
3741p2_h_doner(167,0.1).
3742p2_h_acceptor(167,0.1).
3743p2_size(167,0.1).
3744p2_pi_acceptor(167,0.1).
3745p2_branch(167,0.1).
3746p2_sigma(167,0.1).
3747p2_polarisable(167,0.1).
3748p2_flex(168,0.1).
3749p2_pi_doner(168,0.1).
3750p2_polar(168,0.1).
3751p2_h_doner(168,0.1).
3752p2_h_acceptor(168,0.1).
3753p2_size(168,0.1).
3754p2_pi_acceptor(168,0.1).
3755p2_branch(168,0.1).
3756p2_sigma(168,0.1).
3757p2_polarisable(168,0.1).
3758p2_flex(169,0.1).
3759p2_pi_doner(169,0.1).
3760p2_polar(169,0.1).
3761p2_h_doner(169,0.1).
3762p2_h_acceptor(169,0.1).
3763p2_size(169,0.1).
3764p2_pi_acceptor(169,0.1).
3765p2_branch(169,0.1).
3766p2_sigma(169,0.1).
3767p2_polarisable(169,0.1).
3768p2_flex(170,0.1).
3769p2_pi_doner(170,0.1).
3770p2_polar(170,0.1).
3771p2_h_doner(170,0.1).
3772p2_h_acceptor(170,0.1).
3773p2_size(170,0.1).
3774p2_pi_acceptor(170,0.1).
3775p2_branch(170,0.1).
3776p2_sigma(170,0.1).
3777p2_polarisable(170,0.1).
3778p2_flex(171,0.1).
3779p2_pi_doner(171,0.1).
3780p2_polar(171,0.1).
3781p2_h_doner(171,0.1).
3782p2_h_acceptor(171,0.1).
3783p2_size(171,0.1).
3784p2_pi_acceptor(171,0.1).
3785p2_branch(171,0.1).
3786p2_sigma(171,0.1).
3787p2_polarisable(171,0.1).
3788p2_flex(172,0.1).
3789p2_pi_doner(172,0.1).
3790p2_polar(172,0.1).
3791p2_h_doner(172,0.1).
3792p2_h_acceptor(172,0.1).
3793p2_size(172,0.1).
3794p2_pi_acceptor(172,0.1).
3795p2_branch(172,0.1).
3796p2_sigma(172,0.1).
3797p2_polarisable(172,0.1).
3798p2_flex(173,0.1).
3799p2_pi_doner(173,0.1).
3800p2_polar(173,0.1).
3801p2_h_doner(173,0.1).
3802p2_h_acceptor(173,0.1).
3803p2_size(173,0.1).
3804p2_pi_acceptor(173,0.1).
3805p2_branch(173,0.1).
3806p2_sigma(173,0.1).
3807p2_polarisable(173,0.1).
3808p2_flex(174,0.1).
3809p2_pi_doner(174,0.1).
3810p2_polar(174,0.1).
3811p2_h_doner(174,0.1).
3812p2_h_acceptor(174,0.1).
3813p2_size(174,0.1).
3814p2_pi_acceptor(174,0.1).
3815p2_branch(174,0.1).
3816p2_sigma(174,0.1).
3817p2_polarisable(174,0.1).
3818p2_flex(175,0.1).
3819p2_pi_doner(175,0.1).
3820p2_polar(175,0.1).
3821p2_h_doner(175,0.1).
3822p2_h_acceptor(175,0.1).
3823p2_size(175,0.1).
3824p2_pi_acceptor(175,0.1).
3825p2_branch(175,0.1).
3826p2_sigma(175,0.1).
3827p2_polarisable(175,0.1).
3828p2_flex(176,0.1).
3829p2_pi_doner(176,0.1).
3830p2_polar(176,0.1).
3831p2_h_doner(176,0.1).
3832p2_h_acceptor(176,0.1).
3833p2_size(176,0.1).
3834p2_pi_acceptor(176,0.1).
3835p2_branch(176,0.1).
3836p2_sigma(176,0.1).
3837p2_polarisable(176,0.1).
3838p2_flex(177,0.1).
3839p2_pi_doner(177,0.1).
3840p2_polar(177,0.1).
3841p2_h_doner(177,0.1).
3842p2_h_acceptor(177,0.1).
3843p2_size(177,0.1).
3844p2_pi_acceptor(177,0.1).
3845p2_branch(177,0.1).
3846p2_sigma(177,0.1).
3847p2_polarisable(177,0.1).
3848p2_flex(178,0.1).
3849p2_pi_doner(178,0.1).
3850p2_polar(178,0.1).
3851p2_h_doner(178,0.1).
3852p2_h_acceptor(178,0.1).
3853p2_size(178,0.1).
3854p2_pi_acceptor(178,0.1).
3855p2_branch(178,0.1).
3856p2_sigma(178,0.1).
3857p2_polarisable(178,0.1).
3858p2_flex(179,0.1).
3859p2_pi_doner(179,0.1).
3860p2_polar(179,0.1).
3861p2_h_doner(179,0.1).
3862p2_h_acceptor(179,0.1).
3863p2_size(179,0.1).
3864p2_pi_acceptor(179,0.1).
3865p2_branch(179,0.1).
3866p2_sigma(179,0.1).
3867p2_polarisable(179,0.1).
3868p2_flex(180,0.1).
3869p2_pi_doner(180,0.1).
3870p2_polar(180,0.1).
3871p2_h_doner(180,0.1).
3872p2_h_acceptor(180,0.1).
3873p2_size(180,0.1).
3874p2_pi_acceptor(180,0.1).
3875p2_branch(180,0.1).
3876p2_sigma(180,0.1).
3877p2_polarisable(180,0.1).
3878p2_flex(181,0.1).
3879p2_pi_doner(181,0.1).
3880p2_polar(181,0.1).
3881p2_h_doner(181,0.1).
3882p2_h_acceptor(181,0.1).
3883p2_size(181,0.1).
3884p2_pi_acceptor(181,0.1).
3885p2_branch(181,0.1).
3886p2_sigma(181,0.1).
3887p2_polarisable(181,0.1).
3888p2_flex(182,0.1).
3889p2_pi_doner(182,0.1).
3890p2_polar(182,0.1).
3891p2_h_doner(182,0.1).
3892p2_h_acceptor(182,0.1).
3893p2_size(182,0.1).
3894p2_pi_acceptor(182,0.1).
3895p2_branch(182,0.1).
3896p2_sigma(182,0.1).
3897p2_polarisable(182,0.1).
3898p2_flex(183,0.1).
3899p2_pi_doner(183,0.1).
3900p2_polar(183,0.1).
3901p2_h_doner(183,0.1).
3902p2_h_acceptor(183,0.1).
3903p2_size(183,0.1).
3904p2_pi_acceptor(183,0.1).
3905p2_branch(183,0.1).
3906p2_sigma(183,0.1).
3907p2_polarisable(183,0.1).
3908p2_flex(184,0.1).
3909p2_pi_doner(184,0.1).
3910p2_polar(184,0.58).
3911p2_h_doner(184,0.1).
3912p2_h_acceptor(184,0.9).
3913p2_size(184,0.9).
3914p2_pi_acceptor(184,0.5).
3915p2_branch(184,0.9).
3916p2_sigma(184,0.1).
3917p2_polarisable(184,0.5).
3918p2_flex(185,0.1).
3919p2_pi_doner(185,0.1).
3920p2_polar(185,0.1).
3921p2_h_doner(185,0.1).
3922p2_h_acceptor(185,0.1).
3923p2_size(185,0.1).
3924p2_pi_acceptor(185,0.1).
3925p2_branch(185,0.1).
3926p2_sigma(185,0.1).
3927p2_polarisable(185,0.1).
3928p2_flex(186,0.1).
3929p2_pi_doner(186,0.1).
3930p2_polar(186,0.1).
3931p2_h_doner(186,0.1).
3932p2_h_acceptor(186,0.1).
3933p2_size(186,0.1).
3934p2_pi_acceptor(186,0.1).
3935p2_branch(186,0.1).
3936p2_sigma(186,0.1).
3937p2_polarisable(186,0.1).
3938p3_flex(1,0.1).
3939p3_pi_doner(1,0.1).
3940p3_polar(1,0.1).
3941p3_h_doner(1,0.1).
3942p3_h_acceptor(1,0.1).
3943p3_size(1,0.1).
3944p3_pi_acceptor(1,0.1).
3945p3_branch(1,0.1).
3946p3_sigma(1,0.1).
3947p3_polarisable(1,0.1).
3948p3_flex(2,0.1).
3949p3_pi_doner(2,0.1).
3950p3_polar(2,0.1).
3951p3_h_doner(2,0.1).
3952p3_h_acceptor(2,0.1).
3953p3_size(2,0.1).
3954p3_pi_acceptor(2,0.1).
3955p3_branch(2,0.1).
3956p3_sigma(2,0.1).
3957p3_polarisable(2,0.1).
3958p3_flex(3,0.1).
3959p3_pi_doner(3,0.1).
3960p3_polar(3,0.1).
3961p3_h_doner(3,0.1).
3962p3_h_acceptor(3,0.1).
3963p3_size(3,0.1).
3964p3_pi_acceptor(3,0.1).
3965p3_branch(3,0.1).
3966p3_sigma(3,0.1).
3967p3_polarisable(3,0.1).
3968p3_flex(4,0.1).
3969p3_pi_doner(4,0.1).
3970p3_polar(4,0.1).
3971p3_h_doner(4,0.1).
3972p3_h_acceptor(4,0.1).
3973p3_size(4,0.1).
3974p3_pi_acceptor(4,0.1).
3975p3_branch(4,0.1).
3976p3_sigma(4,0.1).
3977p3_polarisable(4,0.1).
3978p3_flex(5,0.1).
3979p3_pi_doner(5,0.1).
3980p3_polar(5,0.1).
3981p3_h_doner(5,0.1).
3982p3_h_acceptor(5,0.1).
3983p3_size(5,0.1).
3984p3_pi_acceptor(5,0.1).
3985p3_branch(5,0.1).
3986p3_sigma(5,0.1).
3987p3_polarisable(5,0.1).
3988p3_flex(6,0.1).
3989p3_pi_doner(6,0.1).
3990p3_polar(6,0.1).
3991p3_h_doner(6,0.1).
3992p3_h_acceptor(6,0.1).
3993p3_size(6,0.1).
3994p3_pi_acceptor(6,0.1).
3995p3_branch(6,0.1).
3996p3_sigma(6,0.1).
3997p3_polarisable(6,0.1).
3998p3_flex(7,0.1).
3999p3_pi_doner(7,0.1).
4000p3_polar(7,0.1).
4001p3_h_doner(7,0.1).
4002p3_h_acceptor(7,0.1).
4003p3_size(7,0.1).
4004p3_pi_acceptor(7,0.1).
4005p3_branch(7,0.1).
4006p3_sigma(7,0.1).
4007p3_polarisable(7,0.1).
4008p3_flex(8,0.1).
4009p3_pi_doner(8,0.1).
4010p3_polar(8,0.1).
4011p3_h_doner(8,0.1).
4012p3_h_acceptor(8,0.1).
4013p3_size(8,0.1).
4014p3_pi_acceptor(8,0.1).
4015p3_branch(8,0.1).
4016p3_sigma(8,0.1).
4017p3_polarisable(8,0.1).
4018p3_flex(9,0.1).
4019p3_pi_doner(9,0.1).
4020p3_polar(9,0.1).
4021p3_h_doner(9,0.1).
4022p3_h_acceptor(9,0.1).
4023p3_size(9,0.1).
4024p3_pi_acceptor(9,0.1).
4025p3_branch(9,0.1).
4026p3_sigma(9,0.1).
4027p3_polarisable(9,0.1).
4028p3_flex(10,0.1).
4029p3_pi_doner(10,0.1).
4030p3_polar(10,0.1).
4031p3_h_doner(10,0.1).
4032p3_h_acceptor(10,0.1).
4033p3_size(10,0.1).
4034p3_pi_acceptor(10,0.1).
4035p3_branch(10,0.1).
4036p3_sigma(10,0.1).
4037p3_polarisable(10,0.1).
4038p3_flex(11,0.1).
4039p3_pi_doner(11,0.1).
4040p3_polar(11,0.1).
4041p3_h_doner(11,0.1).
4042p3_h_acceptor(11,0.1).
4043p3_size(11,0.1).
4044p3_pi_acceptor(11,0.1).
4045p3_branch(11,0.1).
4046p3_sigma(11,0.1).
4047p3_polarisable(11,0.1).
4048p3_flex(12,0.1).
4049p3_pi_doner(12,0.1).
4050p3_polar(12,0.1).
4051p3_h_doner(12,0.1).
4052p3_h_acceptor(12,0.1).
4053p3_size(12,0.1).
4054p3_pi_acceptor(12,0.1).
4055p3_branch(12,0.1).
4056p3_sigma(12,0.1).
4057p3_polarisable(12,0.1).
4058p3_flex(13,0.1).
4059p3_pi_doner(13,0.1).
4060p3_polar(13,0.1).
4061p3_h_doner(13,0.1).
4062p3_h_acceptor(13,0.1).
4063p3_size(13,0.1).
4064p3_pi_acceptor(13,0.1).
4065p3_branch(13,0.1).
4066p3_sigma(13,0.1).
4067p3_polarisable(13,0.1).
4068p3_flex(14,0.1).
4069p3_pi_doner(14,0.1).
4070p3_polar(14,0.1).
4071p3_h_doner(14,0.1).
4072p3_h_acceptor(14,0.1).
4073p3_size(14,0.1).
4074p3_pi_acceptor(14,0.1).
4075p3_branch(14,0.1).
4076p3_sigma(14,0.1).
4077p3_polarisable(14,0.1).
4078p3_flex(15,0.1).
4079p3_pi_doner(15,0.1).
4080p3_polar(15,0.1).
4081p3_h_doner(15,0.1).
4082p3_h_acceptor(15,0.1).
4083p3_size(15,0.1).
4084p3_pi_acceptor(15,0.1).
4085p3_branch(15,0.1).
4086p3_sigma(15,0.1).
4087p3_polarisable(15,0.1).
4088p3_flex(16,0.1).
4089p3_pi_doner(16,0.1).
4090p3_polar(16,0.1).
4091p3_h_doner(16,0.1).
4092p3_h_acceptor(16,0.1).
4093p3_size(16,0.1).
4094p3_pi_acceptor(16,0.1).
4095p3_branch(16,0.1).
4096p3_sigma(16,0.1).
4097p3_polarisable(16,0.1).
4098p3_flex(17,0.1).
4099p3_pi_doner(17,0.1).
4100p3_polar(17,0.1).
4101p3_h_doner(17,0.1).
4102p3_h_acceptor(17,0.1).
4103p3_size(17,0.1).
4104p3_pi_acceptor(17,0.1).
4105p3_branch(17,0.1).
4106p3_sigma(17,0.1).
4107p3_polarisable(17,0.1).
4108p3_flex(18,0.1).
4109p3_pi_doner(18,0.1).
4110p3_polar(18,0.1).
4111p3_h_doner(18,0.1).
4112p3_h_acceptor(18,0.1).
4113p3_size(18,0.1).
4114p3_pi_acceptor(18,0.1).
4115p3_branch(18,0.1).
4116p3_sigma(18,0.1).
4117p3_polarisable(18,0.1).
4118p3_flex(19,0.1).
4119p3_pi_doner(19,0.1).
4120p3_polar(19,0.1).
4121p3_h_doner(19,0.1).
4122p3_h_acceptor(19,0.1).
4123p3_size(19,0.1).
4124p3_pi_acceptor(19,0.1).
4125p3_branch(19,0.1).
4126p3_sigma(19,0.1).
4127p3_polarisable(19,0.1).
4128p3_flex(20,0.1).
4129p3_pi_doner(20,0.1).
4130p3_polar(20,0.1).
4131p3_h_doner(20,0.1).
4132p3_h_acceptor(20,0.1).
4133p3_size(20,0.1).
4134p3_pi_acceptor(20,0.1).
4135p3_branch(20,0.1).
4136p3_sigma(20,0.1).
4137p3_polarisable(20,0.1).
4138p3_flex(21,0.1).
4139p3_pi_doner(21,0.1).
4140p3_polar(21,0.1).
4141p3_h_doner(21,0.1).
4142p3_h_acceptor(21,0.1).
4143p3_size(21,0.1).
4144p3_pi_acceptor(21,0.1).
4145p3_branch(21,0.1).
4146p3_sigma(21,0.1).
4147p3_polarisable(21,0.1).
4148p3_flex(22,0.1).
4149p3_pi_doner(22,0.1).
4150p3_polar(22,0.1).
4151p3_h_doner(22,0.1).
4152p3_h_acceptor(22,0.1).
4153p3_size(22,0.1).
4154p3_pi_acceptor(22,0.1).
4155p3_branch(22,0.1).
4156p3_sigma(22,0.1).
4157p3_polarisable(22,0.1).
4158p3_flex(23,0.1).
4159p3_pi_doner(23,0.1).
4160p3_polar(23,0.1).
4161p3_h_doner(23,0.1).
4162p3_h_acceptor(23,0.1).
4163p3_size(23,0.1).
4164p3_pi_acceptor(23,0.1).
4165p3_branch(23,0.1).
4166p3_sigma(23,0.1).
4167p3_polarisable(23,0.1).
4168p3_flex(24,0.1).
4169p3_pi_doner(24,0.1).
4170p3_polar(24,0.1).
4171p3_h_doner(24,0.1).
4172p3_h_acceptor(24,0.1).
4173p3_size(24,0.1).
4174p3_pi_acceptor(24,0.1).
4175p3_branch(24,0.1).
4176p3_sigma(24,0.1).
4177p3_polarisable(24,0.1).
4178p3_flex(25,0.1).
4179p3_pi_doner(25,0.1).
4180p3_polar(25,0.1).
4181p3_h_doner(25,0.1).
4182p3_h_acceptor(25,0.1).
4183p3_size(25,0.1).
4184p3_pi_acceptor(25,0.1).
4185p3_branch(25,0.1).
4186p3_sigma(25,0.1).
4187p3_polarisable(25,0.1).
4188p3_flex(26,0.1).
4189p3_pi_doner(26,0.1).
4190p3_polar(26,0.1).
4191p3_h_doner(26,0.1).
4192p3_h_acceptor(26,0.1).
4193p3_size(26,0.1).
4194p3_pi_acceptor(26,0.1).
4195p3_branch(26,0.1).
4196p3_sigma(26,0.1).
4197p3_polarisable(26,0.1).
4198p3_flex(27,0.1).
4199p3_pi_doner(27,0.1).
4200p3_polar(27,0.1).
4201p3_h_doner(27,0.1).
4202p3_h_acceptor(27,0.1).
4203p3_size(27,0.1).
4204p3_pi_acceptor(27,0.1).
4205p3_branch(27,0.1).
4206p3_sigma(27,0.1).
4207p3_polarisable(27,0.1).
4208p3_flex(28,0.1).
4209p3_pi_doner(28,0.1).
4210p3_polar(28,0.1).
4211p3_h_doner(28,0.1).
4212p3_h_acceptor(28,0.1).
4213p3_size(28,0.1).
4214p3_pi_acceptor(28,0.1).
4215p3_branch(28,0.1).
4216p3_sigma(28,0.1).
4217p3_polarisable(28,0.1).
4218p3_flex(29,0.1).
4219p3_pi_doner(29,0.1).
4220p3_polar(29,0.1).
4221p3_h_doner(29,0.1).
4222p3_h_acceptor(29,0.1).
4223p3_size(29,0.1).
4224p3_pi_acceptor(29,0.1).
4225p3_branch(29,0.1).
4226p3_sigma(29,0.1).
4227p3_polarisable(29,0.1).
4228p3_flex(30,0.1).
4229p3_pi_doner(30,0.1).
4230p3_polar(30,0.1).
4231p3_h_doner(30,0.1).
4232p3_h_acceptor(30,0.1).
4233p3_size(30,0.1).
4234p3_pi_acceptor(30,0.1).
4235p3_branch(30,0.1).
4236p3_sigma(30,0.1).
4237p3_polarisable(30,0.1).
4238p3_flex(31,0.1).
4239p3_pi_doner(31,0.1).
4240p3_polar(31,0.1).
4241p3_h_doner(31,0.1).
4242p3_h_acceptor(31,0.1).
4243p3_size(31,0.1).
4244p3_pi_acceptor(31,0.1).
4245p3_branch(31,0.1).
4246p3_sigma(31,0.1).
4247p3_polarisable(31,0.1).
4248p3_flex(32,0.1).
4249p3_pi_doner(32,0.1).
4250p3_polar(32,0.1).
4251p3_h_doner(32,0.1).
4252p3_h_acceptor(32,0.1).
4253p3_size(32,0.1).
4254p3_pi_acceptor(32,0.1).
4255p3_branch(32,0.1).
4256p3_sigma(32,0.1).
4257p3_polarisable(32,0.1).
4258p3_flex(33,0.1).
4259p3_pi_doner(33,0.1).
4260p3_polar(33,0.1).
4261p3_h_doner(33,0.1).
4262p3_h_acceptor(33,0.1).
4263p3_size(33,0.1).
4264p3_pi_acceptor(33,0.1).
4265p3_branch(33,0.1).
4266p3_sigma(33,0.1).
4267p3_polarisable(33,0.1).
4268p3_flex(34,0.1).
4269p3_pi_doner(34,0.1).
4270p3_polar(34,0.1).
4271p3_h_doner(34,0.1).
4272p3_h_acceptor(34,0.1).
4273p3_size(34,0.1).
4274p3_pi_acceptor(34,0.1).
4275p3_branch(34,0.1).
4276p3_sigma(34,0.1).
4277p3_polarisable(34,0.1).
4278p3_flex(35,0.1).
4279p3_pi_doner(35,0.1).
4280p3_polar(35,0.1).
4281p3_h_doner(35,0.1).
4282p3_h_acceptor(35,0.1).
4283p3_size(35,0.1).
4284p3_pi_acceptor(35,0.1).
4285p3_branch(35,0.1).
4286p3_sigma(35,0.1).
4287p3_polarisable(35,0.1).
4288p3_flex(36,0.1).
4289p3_pi_doner(36,0.1).
4290p3_polar(36,0.1).
4291p3_h_doner(36,0.1).
4292p3_h_acceptor(36,0.1).
4293p3_size(36,0.1).
4294p3_pi_acceptor(36,0.1).
4295p3_branch(36,0.1).
4296p3_sigma(36,0.1).
4297p3_polarisable(36,0.1).
4298p3_flex(37,0.1).
4299p3_pi_doner(37,0.1).
4300p3_polar(37,0.1).
4301p3_h_doner(37,0.1).
4302p3_h_acceptor(37,0.1).
4303p3_size(37,0.1).
4304p3_pi_acceptor(37,0.1).
4305p3_branch(37,0.1).
4306p3_sigma(37,0.1).
4307p3_polarisable(37,0.1).
4308p3_flex(38,0.1).
4309p3_pi_doner(38,0.1).
4310p3_polar(38,0.1).
4311p3_h_doner(38,0.1).
4312p3_h_acceptor(38,0.1).
4313p3_size(38,0.1).
4314p3_pi_acceptor(38,0.1).
4315p3_branch(38,0.1).
4316p3_sigma(38,0.1).
4317p3_polarisable(38,0.1).
4318p3_flex(39,0.1).
4319p3_pi_doner(39,0.1).
4320p3_polar(39,0.1).
4321p3_h_doner(39,0.1).
4322p3_h_acceptor(39,0.1).
4323p3_size(39,0.1).
4324p3_pi_acceptor(39,0.1).
4325p3_branch(39,0.1).
4326p3_sigma(39,0.1).
4327p3_polarisable(39,0.1).
4328p3_flex(40,0.1).
4329p3_pi_doner(40,0.1).
4330p3_polar(40,0.1).
4331p3_h_doner(40,0.1).
4332p3_h_acceptor(40,0.1).
4333p3_size(40,0.1).
4334p3_pi_acceptor(40,0.1).
4335p3_branch(40,0.1).
4336p3_sigma(40,0.1).
4337p3_polarisable(40,0.1).
4338p3_flex(41,0.1).
4339p3_pi_doner(41,0.1).
4340p3_polar(41,0.1).
4341p3_h_doner(41,0.1).
4342p3_h_acceptor(41,0.1).
4343p3_size(41,0.1).
4344p3_pi_acceptor(41,0.1).
4345p3_branch(41,0.1).
4346p3_sigma(41,0.1).
4347p3_polarisable(41,0.1).
4348p3_flex(42,0.1).
4349p3_pi_doner(42,0.1).
4350p3_polar(42,0.1).
4351p3_h_doner(42,0.1).
4352p3_h_acceptor(42,0.1).
4353p3_size(42,0.1).
4354p3_pi_acceptor(42,0.1).
4355p3_branch(42,0.1).
4356p3_sigma(42,0.1).
4357p3_polarisable(42,0.1).
4358p3_flex(43,0.1).
4359p3_pi_doner(43,0.1).
4360p3_polar(43,0.1).
4361p3_h_doner(43,0.1).
4362p3_h_acceptor(43,0.1).
4363p3_size(43,0.1).
4364p3_pi_acceptor(43,0.1).
4365p3_branch(43,0.1).
4366p3_sigma(43,0.1).
4367p3_polarisable(43,0.1).
4368p3_flex(44,0.1).
4369p3_pi_doner(44,0.1).
4370p3_polar(44,0.1).
4371p3_h_doner(44,0.1).
4372p3_h_acceptor(44,0.1).
4373p3_size(44,0.1).
4374p3_pi_acceptor(44,0.1).
4375p3_branch(44,0.1).
4376p3_sigma(44,0.1).
4377p3_polarisable(44,0.1).
4378p3_flex(45,0.1).
4379p3_pi_doner(45,0.1).
4380p3_polar(45,0.1).
4381p3_h_doner(45,0.1).
4382p3_h_acceptor(45,0.1).
4383p3_size(45,0.1).
4384p3_pi_acceptor(45,0.1).
4385p3_branch(45,0.1).
4386p3_sigma(45,0.1).
4387p3_polarisable(45,0.1).
4388p3_flex(46,0.1).
4389p3_pi_doner(46,0.1).
4390p3_polar(46,0.1).
4391p3_h_doner(46,0.1).
4392p3_h_acceptor(46,0.1).
4393p3_size(46,0.1).
4394p3_pi_acceptor(46,0.1).
4395p3_branch(46,0.1).
4396p3_sigma(46,0.1).
4397p3_polarisable(46,0.1).
4398p3_flex(47,0.1).
4399p3_pi_doner(47,0.1).
4400p3_polar(47,0.1).
4401p3_h_doner(47,0.1).
4402p3_h_acceptor(47,0.1).
4403p3_size(47,0.1).
4404p3_pi_acceptor(47,0.1).
4405p3_branch(47,0.1).
4406p3_sigma(47,0.1).
4407p3_polarisable(47,0.1).
4408p3_flex(48,0.1).
4409p3_pi_doner(48,0.1).
4410p3_polar(48,0.1).
4411p3_h_doner(48,0.1).
4412p3_h_acceptor(48,0.1).
4413p3_size(48,0.1).
4414p3_pi_acceptor(48,0.1).
4415p3_branch(48,0.1).
4416p3_sigma(48,0.1).
4417p3_polarisable(48,0.1).
4418p3_flex(49,0.1).
4419p3_pi_doner(49,0.1).
4420p3_polar(49,0.1).
4421p3_h_doner(49,0.1).
4422p3_h_acceptor(49,0.1).
4423p3_size(49,0.1).
4424p3_pi_acceptor(49,0.1).
4425p3_branch(49,0.1).
4426p3_sigma(49,0.1).
4427p3_polarisable(49,0.1).
4428p3_flex(50,0.1).
4429p3_pi_doner(50,0.1).
4430p3_polar(50,0.1).
4431p3_h_doner(50,0.1).
4432p3_h_acceptor(50,0.1).
4433p3_size(50,0.1).
4434p3_pi_acceptor(50,0.1).
4435p3_branch(50,0.1).
4436p3_sigma(50,0.1).
4437p3_polarisable(50,0.1).
4438p3_flex(51,0.1).
4439p3_pi_doner(51,0.1).
4440p3_polar(51,0.1).
4441p3_h_doner(51,0.1).
4442p3_h_acceptor(51,0.1).
4443p3_size(51,0.1).
4444p3_pi_acceptor(51,0.1).
4445p3_branch(51,0.1).
4446p3_sigma(51,0.1).
4447p3_polarisable(51,0.1).
4448p3_flex(52,0.1).
4449p3_pi_doner(52,0.1).
4450p3_polar(52,0.1).
4451p3_h_doner(52,0.1).
4452p3_h_acceptor(52,0.1).
4453p3_size(52,0.1).
4454p3_pi_acceptor(52,0.1).
4455p3_branch(52,0.1).
4456p3_sigma(52,0.1).
4457p3_polarisable(52,0.1).
4458p3_flex(53,0.1).
4459p3_pi_doner(53,0.1).
4460p3_polar(53,0.1).
4461p3_h_doner(53,0.1).
4462p3_h_acceptor(53,0.1).
4463p3_size(53,0.1).
4464p3_pi_acceptor(53,0.1).
4465p3_branch(53,0.1).
4466p3_sigma(53,0.1).
4467p3_polarisable(53,0.1).
4468p3_flex(54,0.1).
4469p3_pi_doner(54,0.1).
4470p3_polar(54,0.1).
4471p3_h_doner(54,0.1).
4472p3_h_acceptor(54,0.1).
4473p3_size(54,0.1).
4474p3_pi_acceptor(54,0.1).
4475p3_branch(54,0.1).
4476p3_sigma(54,0.1).
4477p3_polarisable(54,0.1).
4478p3_flex(55,0.1).
4479p3_pi_doner(55,0.1).
4480p3_polar(55,0.1).
4481p3_h_doner(55,0.1).
4482p3_h_acceptor(55,0.1).
4483p3_size(55,0.1).
4484p3_pi_acceptor(55,0.1).
4485p3_branch(55,0.1).
4486p3_sigma(55,0.1).
4487p3_polarisable(55,0.1).
4488p3_flex(56,0.1).
4489p3_pi_doner(56,0.1).
4490p3_polar(56,0.1).
4491p3_h_doner(56,0.1).
4492p3_h_acceptor(56,0.1).
4493p3_size(56,0.1).
4494p3_pi_acceptor(56,0.1).
4495p3_branch(56,0.1).
4496p3_sigma(56,0.1).
4497p3_polarisable(56,0.1).
4498p3_flex(57,0.1).
4499p3_pi_doner(57,0.1).
4500p3_polar(57,0.1).
4501p3_h_doner(57,0.1).
4502p3_h_acceptor(57,0.1).
4503p3_size(57,0.1).
4504p3_pi_acceptor(57,0.1).
4505p3_branch(57,0.1).
4506p3_sigma(57,0.1).
4507p3_polarisable(57,0.1).
4508p3_flex(58,0.1).
4509p3_pi_doner(58,0.1).
4510p3_polar(58,0.1).
4511p3_h_doner(58,0.1).
4512p3_h_acceptor(58,0.1).
4513p3_size(58,0.1).
4514p3_pi_acceptor(58,0.1).
4515p3_branch(58,0.1).
4516p3_sigma(58,0.1).
4517p3_polarisable(58,0.1).
4518p3_flex(59,0.1).
4519p3_pi_doner(59,0.1).
4520p3_polar(59,0.1).
4521p3_h_doner(59,0.1).
4522p3_h_acceptor(59,0.1).
4523p3_size(59,0.1).
4524p3_pi_acceptor(59,0.1).
4525p3_branch(59,0.1).
4526p3_sigma(59,0.1).
4527p3_polarisable(59,0.1).
4528p3_flex(60,0.1).
4529p3_pi_doner(60,0.1).
4530p3_polar(60,0.1).
4531p3_h_doner(60,0.1).
4532p3_h_acceptor(60,0.1).
4533p3_size(60,0.1).
4534p3_pi_acceptor(60,0.1).
4535p3_branch(60,0.1).
4536p3_sigma(60,0.1).
4537p3_polarisable(60,0.1).
4538p3_flex(61,0.1).
4539p3_pi_doner(61,0.1).
4540p3_polar(61,0.1).
4541p3_h_doner(61,0.1).
4542p3_h_acceptor(61,0.1).
4543p3_size(61,0.1).
4544p3_pi_acceptor(61,0.1).
4545p3_branch(61,0.1).
4546p3_sigma(61,0.1).
4547p3_polarisable(61,0.1).
4548p3_flex(62,0.1).
4549p3_pi_doner(62,0.1).
4550p3_polar(62,0.1).
4551p3_h_doner(62,0.1).
4552p3_h_acceptor(62,0.1).
4553p3_size(62,0.1).
4554p3_pi_acceptor(62,0.1)