Example taken from relational.fit.cvut.cz
URL on cplint.lamping.unife: http://cplint.lamping.unife.it/p/pyrimidine.pl
13:-use_module(library(phil)). 14:- if(current_predicate(use_rendering/1)). 15:- use_rendering(c3). 16:- use_rendering(lpad). 17:- endif. 18 19:-phil. 20 21:- set_hplp(verbosity,1). 22% Structure learning settings 23:- set_hplp(megaex_bottom,10). % max number of mega examples to considered in the generation of bottoms clauses 24:- set_hplp(initial_clauses_per_megaex,1). 25:- set_hplp(rate,1.0). % defines the probabilityu for going from the first layer to the second layer 26:- set_hplp(max_layer,-1). % Define the max number of layer: -1 for the maximum depth possible 27:- set_hplp(min_probability,0.00001). % threshold value of the probability under which a clauses is dropped out 28 29% Parameter learning settings 30:- set_hplp(algorithmType,dphil). % parameter learning algorithm dphil or emphil 31% Maximun iteration and other stop conditions. 32:- set_hplp(maxIter_phil,1000). 33:- set_hplp(epsilon_deep,0.0001). 34:- set_hplp(epsilon_deep_fraction,0.00001). 35 36:- set_hplp(setSeed,yes). % Default value=no 37:- set_hplp(c_seed,3035). 38% regularization parameters 39:- set_hplp(regularized,no). % yes to enable regularization and no otherwise 40:- set_hplp(regularizationType,2). % 1 for L1, 2 for L2 and 3 for L3. L3 available only for emphil. If set to 0 no regularization is done 41:- set_hplp(gamma,10). % regularization strength 42:- set_hplp(gammaCount,0). 43 44% Adam parameter for dphil algorithm 45:- set_hplp(adam_params,[0.1,0.9,0.999,1e-8]). % adam(Eta,Beta1,Beta2,Epsilon_adam_hat) 46% Gradient descent strategy and the corresponding batch size 47%:- set_hplp(batch_strategy,minibatch(50)). 48%:- set_hplp(batch_strategy,stoch_minibatch(50)). 49:- set_hplp(batch_strategy,batch). 50 51fold(f1,[pyrimidine002,pyrimidine003,pyrimidine007,pyrimidine014,pyrimidine017, 52 pyrimidine001,pyrimidine004,pyrimidine006,pyrimidine010,pyrimidine011]). 53fold(f2,[pyrimidine021,pyrimidine023,pyrimidine024,pyrimidine025,pyrimidine026, 54 pyrimidine012,pyrimidine013,pyrimidine015,pyrimidine016,pyrimidine022]). 55fold(f3,[pyrimidine029,pyrimidine030,pyrimidine042,pyrimidine048,pyrimidine069, 56 pyrimidine027,pyrimidine032,pyrimidine033,pyrimidine038,pyrimidine039]). 57fold(f4,[pyrimidine070,pyrimidine071,pyrimidine072,pyrimidine073,pyrimidine074, 58 pyrimidine041,pyrimidine044,pyrimidine045,pyrimidine054,pyrimidine056]). 59 60 61 62output(active/0). 63 64input(activity/1). 65input(p1_polar/1). 66input(p1_size/1). 67input(p1_flex/1). 68input(p1_h_donor/1). 69input(p1_h_acceptor/1). 70input(p1_pi_donor/1). 71input(p1_pi_acceptor/1). 72input(p1_polarizable/1). 73input(p1_sigma/1). 74input(p2_polar/1). 75input(p2_size/1). 76input(p2_flex/1). 77input(p2_h_donor/1). 78input(p2_h_acceptor/1). 79input(p2_pi_donor/1). 80input(p2_pi_acceptor/1). 81input(p2_polarizable/1). 82input(p2_sigma/1). 83input(p3_polar/1). 84input(p3_size/1). 85input(p3_flex/1). 86input(p3_h_donor/1). 87input(p3_h_acceptor/1). 88input(p3_pi_donor/1). 89input(p3_pi_acceptor/1). 90input(p3_polarizable/1). 91input(p3_sigma/1). 92 93 94modeh(*,active). 95 96modeb(*,activity(-#actf)). 97modeb(*,p1_polar(-#pol)). 98modeb(*,p1_size(-#si)). 99modeb(*,p1_flex(-#fl)). 100modeb(*,p1_h_donor(-#h_d)). 101modeb(*,p1_h_acceptor(-#h_a)). 102modeb(*,p1_pi_donor(-#p_d)). 103modeb(*,p1_pi_acceptor(-#p_a)). 104modeb(*,p1_polarizable(-#polar)). 105modeb(*,p1_sigma(-#s)). 106modeb(*,p2_polar(-#pol)). 107modeb(*,p2_size(-#si)). 108modeb(*,p2_flex(-#fl)). 109modeb(*,p2_h_donor(-#h_d)). 110modeb(*,p2_h_acceptor(-#h_a)). 111modeb(*,p2_pi_donor(-#p_d)). 112modeb(*,p2_pi_acceptor(-#p_a)). 113modeb(*,p2_polarizable(-#polar)). 114modeb(*,p2_sigma(-#s)). 115modeb(*,p3_polar(-#pol)). 116modeb(*,p3_size(-#si)). 117modeb(*,p3_flex(-#fl)). 118modeb(*,p3_h_donor(-#h_d)). 119modeb(*,p3_h_acceptor(-#h_a)). 120modeb(*,p3_pi_donor(-#p_d)). 121modeb(*,p3_pi_acceptor(-#p_a)). 122modeb(*,p3_polarizable(-#polar)). 123modeb(*,p3_sigma(-#s)). 124 125determination(active/0,activity/1). 126determination(active/0,p1_polar/1). 127determination(active/0,p1_size/1). 128determination(active/0,p1_flex/1). 129determination(active/0,p1_h_donor/1). 130determination(active/0,p1_h_acceptor/1). 131determination(active/0,p1_pi_donor/1). 132determination(active/0,p1_pi_acceptor/1). 133determination(active/0,p1_polarizable/1). 134determination(active/0,p1_sigma/1). 135determination(active/0,p2_polar/1). 136determination(active/0,p2_size/1). 137determination(active/0,p2_flex/1). 138determination(active/0,p2_h_donor/1). 139determination(active/0,p2_h_acceptor/1). 140determination(active/0,p2_pi_donor/1). 141determination(active/0,p2_pi_acceptor/1). 142determination(active/0,p2_polarizable/1). 143determination(active/0,p2_sigma/1). 144determination(active/0,p3_polar/1). 145determination(active/0,p3_size/1). 146determination(active/0,p3_flex/1). 147determination(active/0,p3_h_donor/1). 148determination(active/0,p3_h_acceptor/1). 149determination(active/0,p3_pi_donor/1). 150determination(active/0,p3_pi_acceptor/1). 151determination(active/0,p3_polarizable/1). 152determination(active/0,p3_sigma/1). 153 154 155active(pyrimidine002). 156active(pyrimidine003). 157active(pyrimidine007). 158active(pyrimidine014). 159active(pyrimidine017). 160active(pyrimidine021). 161active(pyrimidine023). 162active(pyrimidine024). 163active(pyrimidine025). 164active(pyrimidine026). 165active(pyrimidine029). 166active(pyrimidine030). 167active(pyrimidine042). 168active(pyrimidine048). 169active(pyrimidine069). 170active(pyrimidine070). 171active(pyrimidine071). 172active(pyrimidine072). 173active(pyrimidine073). 174active(pyrimidine074). 175 176 177neg(active(pyrimidine001)). 178neg(active(pyrimidine004)). 179neg(active(pyrimidine006)). 180neg(active(pyrimidine010)). 181neg(active(pyrimidine011)). 182neg(active(pyrimidine012)). 183neg(active(pyrimidine013)). 184neg(active(pyrimidine015)). 185neg(active(pyrimidine016)). 186neg(active(pyrimidine022)). 187neg(active(pyrimidine027)). 188neg(active(pyrimidine032)). 189neg(active(pyrimidine033)). 190neg(active(pyrimidine038)). 191neg(active(pyrimidine039)). 192neg(active(pyrimidine041)). 193neg(active(pyrimidine044)). 194neg(active(pyrimidine045)). 195neg(active(pyrimidine054)). 196neg(active(pyrimidine056)). 197 198 199%active :- activity(_Act). 200%neg(active) :- \+ active. 201 202p1_polar(pyrimidine001,0.500000). 203p1_size(pyrimidine001,0.260000). 204p1_flex(pyrimidine001,0.100000). 205p1_h_donor(pyrimidine001,0.900000). 206p1_h_acceptor(pyrimidine001,0.900000). 207p1_pi_donor(pyrimidine001,0.900000). 208p1_pi_acceptor(pyrimidine001,0.100000). 209p1_polarizable(pyrimidine001,0.367000). 210p1_sigma(pyrimidine001,0.420000). 211p2_polar(pyrimidine001,0.260000). 212p2_size(pyrimidine001,0.100000). 213p2_flex(pyrimidine001,0.100000). 214p2_h_donor(pyrimidine001,0.100000). 215p2_h_acceptor(pyrimidine001,0.100000). 216p2_pi_donor(pyrimidine001,0.100000). 217p2_pi_acceptor(pyrimidine001,0.100000). 218p2_polarizable(pyrimidine001,0.100000). 219p2_sigma(pyrimidine001,0.100000). 220p3_polar(pyrimidine001,0.367000). 221p3_size(pyrimidine001,0.100000). 222p3_flex(pyrimidine001,0.100000). 223p3_h_donor(pyrimidine001,0.100000). 224p3_h_acceptor(pyrimidine001,0.100000). 225p3_pi_donor(pyrimidine001,0.100000). 226p3_pi_acceptor(pyrimidine001,0.100000). 227p3_sigma(pyrimidine001,0.100000). 228activity(pyrimidine001,0.571000). 229p1_polar(pyrimidine002,0.500000). 230p1_size(pyrimidine002,0.260000). 231p1_flex(pyrimidine002,0.100000). 232p1_h_donor(pyrimidine002,0.100000). 233p1_h_acceptor(pyrimidine002,0.100000). 234p1_pi_donor(pyrimidine002,0.500000). 235p1_pi_acceptor(pyrimidine002,0.100000). 236p1_polarizable(pyrimidine002,0.367000). 237p1_sigma(pyrimidine002,0.580000). 238p2_polar(pyrimidine002,0.420000). 239p2_size(pyrimidine002,0.260000). 240p2_flex(pyrimidine002,0.100000). 241p2_h_donor(pyrimidine002,0.900000). 242p2_h_acceptor(pyrimidine002,0.100000). 243p2_pi_donor(pyrimidine002,0.900000). 244p2_pi_acceptor(pyrimidine002,0.100000). 245p2_polarizable(pyrimidine002,0.100000). 246p2_sigma(pyrimidine002,0.260000). 247p3_polar(pyrimidine002,0.900000). 248p3_size(pyrimidine002,0.367000). 249p3_flex(pyrimidine002,0.100000). 250p3_h_donor(pyrimidine002,0.100000). 251p3_h_acceptor(pyrimidine002,0.100000). 252p3_pi_donor(pyrimidine002,0.500000). 253p3_pi_acceptor(pyrimidine002,0.367000). 254p3_sigma(pyrimidine002,0.900000). 255activity(pyrimidine002,0.900000). 256p1_polar(pyrimidine003,0.300000). 257p1_size(pyrimidine003,0.420000). 258p1_flex(pyrimidine003,0.100000). 259p1_h_donor(pyrimidine003,0.100000). 260p1_h_acceptor(pyrimidine003,0.500000). 261p1_pi_donor(pyrimidine003,0.500000). 262p1_pi_acceptor(pyrimidine003,0.100000). 263p1_polarizable(pyrimidine003,0.367000). 264p1_sigma(pyrimidine003,0.260000). 265p2_polar(pyrimidine003,0.260000). 266p2_size(pyrimidine003,0.100000). 267p2_flex(pyrimidine003,0.100000). 268p2_h_donor(pyrimidine003,0.100000). 269p2_h_acceptor(pyrimidine003,0.100000). 270p2_pi_donor(pyrimidine003,0.100000). 271p2_pi_acceptor(pyrimidine003,0.100000). 272p2_polarizable(pyrimidine003,0.100000). 273p2_sigma(pyrimidine003,0.100000). 274p3_polar(pyrimidine003,0.633000). 275p3_size(pyrimidine003,0.633000). 276p3_flex(pyrimidine003,0.100000). 277p3_h_donor(pyrimidine003,0.100000). 278p3_h_acceptor(pyrimidine003,0.500000). 279p3_pi_donor(pyrimidine003,0.500000). 280p3_pi_acceptor(pyrimidine003,0.367000). 281p3_sigma(pyrimidine003,0.367000). 282activity(pyrimidine003,0.833000). 283p1_polar(pyrimidine004,0.100000). 284p1_size(pyrimidine004,0.740000). 285p1_flex(pyrimidine004,0.700000). 286p1_h_donor(pyrimidine004,0.100000). 287p1_h_acceptor(pyrimidine004,0.500000). 288p1_pi_donor(pyrimidine004,0.100000). 289p1_pi_acceptor(pyrimidine004,0.100000). 290p1_polarizable(pyrimidine004,0.367000). 291p1_sigma(pyrimidine004,0.100000). 292p2_polar(pyrimidine004,0.260000). 293p2_size(pyrimidine004,0.100000). 294p2_flex(pyrimidine004,0.100000). 295p2_h_donor(pyrimidine004,0.100000). 296p2_h_acceptor(pyrimidine004,0.100000). 297p2_pi_donor(pyrimidine004,0.100000). 298p2_pi_acceptor(pyrimidine004,0.100000). 299p2_polarizable(pyrimidine004,0.100000). 300p2_sigma(pyrimidine004,0.100000). 301p3_polar(pyrimidine004,0.367000). 302p3_size(pyrimidine004,0.100000). 303p3_flex(pyrimidine004,0.100000). 304p3_h_donor(pyrimidine004,0.100000). 305p3_h_acceptor(pyrimidine004,0.100000). 306p3_pi_donor(pyrimidine004,0.100000). 307p3_pi_acceptor(pyrimidine004,0.100000). 308p3_sigma(pyrimidine004,0.100000). 309activity(pyrimidine004,0.582000). 310p1_polar(pyrimidine005,0.100000). 311p1_size(pyrimidine005,0.420000). 312p1_flex(pyrimidine005,0.400000). 313p1_h_donor(pyrimidine005,0.100000). 314p1_h_acceptor(pyrimidine005,0.500000). 315p1_pi_donor(pyrimidine005,0.100000). 316p1_pi_acceptor(pyrimidine005,0.100000). 317p1_polarizable(pyrimidine005,0.367000). 318p1_sigma(pyrimidine005,0.100000). 319p2_polar(pyrimidine005,0.260000). 320p2_size(pyrimidine005,0.100000). 321p2_flex(pyrimidine005,0.100000). 322p2_h_donor(pyrimidine005,0.100000). 323p2_h_acceptor(pyrimidine005,0.100000). 324p2_pi_donor(pyrimidine005,0.100000). 325p2_pi_acceptor(pyrimidine005,0.100000). 326p2_polarizable(pyrimidine005,0.100000). 327p2_sigma(pyrimidine005,0.100000). 328p3_polar(pyrimidine005,0.367000). 329p3_size(pyrimidine005,0.100000). 330p3_flex(pyrimidine005,0.100000). 331p3_h_donor(pyrimidine005,0.100000). 332p3_h_acceptor(pyrimidine005,0.100000). 333p3_pi_donor(pyrimidine005,0.100000). 334p3_pi_acceptor(pyrimidine005,0.100000). 335p3_sigma(pyrimidine005,0.100000). 336activity(pyrimidine005,0.587000). 337p1_polar(pyrimidine006,0.300000). 338p1_size(pyrimidine006,0.420000). 339p1_flex(pyrimidine006,0.300000). 340p1_h_donor(pyrimidine006,0.900000). 341p1_h_acceptor(pyrimidine006,0.900000). 342p1_pi_donor(pyrimidine006,0.100000). 343p1_pi_acceptor(pyrimidine006,0.100000). 344p1_polarizable(pyrimidine006,0.367000). 345p1_sigma(pyrimidine006,0.100000). 346p2_polar(pyrimidine006,0.260000). 347p2_size(pyrimidine006,0.100000). 348p2_flex(pyrimidine006,0.100000). 349p2_h_donor(pyrimidine006,0.100000). 350p2_h_acceptor(pyrimidine006,0.100000). 351p2_pi_donor(pyrimidine006,0.100000). 352p2_pi_acceptor(pyrimidine006,0.100000). 353p2_polarizable(pyrimidine006,0.100000). 354p2_sigma(pyrimidine006,0.100000). 355p3_polar(pyrimidine006,0.633000). 356p3_size(pyrimidine006,0.633000). 357p3_flex(pyrimidine006,0.633000). 358p3_h_donor(pyrimidine006,0.900000). 359p3_h_acceptor(pyrimidine006,0.900000). 360p3_pi_donor(pyrimidine006,0.100000). 361p3_pi_acceptor(pyrimidine006,0.367000). 362p3_sigma(pyrimidine006,0.100000). 363activity(pyrimidine006,0.549000). 364p1_polar(pyrimidine007,0.300000). 365p1_size(pyrimidine007,0.420000). 366p1_flex(pyrimidine007,0.100000). 367p1_h_donor(pyrimidine007,0.100000). 368p1_h_acceptor(pyrimidine007,0.500000). 369p1_pi_donor(pyrimidine007,0.500000). 370p1_pi_acceptor(pyrimidine007,0.100000). 371p1_polarizable(pyrimidine007,0.367000). 372p1_sigma(pyrimidine007,0.260000). 373p2_polar(pyrimidine007,0.420000). 374p2_size(pyrimidine007,0.420000). 375p2_flex(pyrimidine007,0.100000). 376p2_h_donor(pyrimidine007,0.100000). 377p2_h_acceptor(pyrimidine007,0.500000). 378p2_pi_donor(pyrimidine007,0.500000). 379p2_pi_acceptor(pyrimidine007,0.100000). 380p2_polarizable(pyrimidine007,0.500000). 381p2_sigma(pyrimidine007,0.260000). 382p3_polar(pyrimidine007,0.367000). 383p3_size(pyrimidine007,0.100000). 384p3_flex(pyrimidine007,0.100000). 385p3_h_donor(pyrimidine007,0.100000). 386p3_h_acceptor(pyrimidine007,0.100000). 387p3_pi_donor(pyrimidine007,0.100000). 388p3_pi_acceptor(pyrimidine007,0.100000). 389p3_sigma(pyrimidine007,0.100000). 390activity(pyrimidine007,0.742000). 391p1_polar(pyrimidine008,0.300000). 392p1_size(pyrimidine008,0.420000). 393p1_flex(pyrimidine008,0.100000). 394p1_h_donor(pyrimidine008,0.100000). 395p1_h_acceptor(pyrimidine008,0.500000). 396p1_pi_donor(pyrimidine008,0.500000). 397p1_pi_acceptor(pyrimidine008,0.100000). 398p1_polarizable(pyrimidine008,0.367000). 399p1_sigma(pyrimidine008,0.260000). 400p2_polar(pyrimidine008,0.260000). 401p2_size(pyrimidine008,0.100000). 402p2_flex(pyrimidine008,0.100000). 403p2_h_donor(pyrimidine008,0.100000). 404p2_h_acceptor(pyrimidine008,0.100000). 405p2_pi_donor(pyrimidine008,0.100000). 406p2_pi_acceptor(pyrimidine008,0.100000). 407p2_polarizable(pyrimidine008,0.100000). 408p2_sigma(pyrimidine008,0.100000). 409p3_polar(pyrimidine008,0.367000). 410p3_size(pyrimidine008,0.100000). 411p3_flex(pyrimidine008,0.100000). 412p3_h_donor(pyrimidine008,0.100000). 413p3_h_acceptor(pyrimidine008,0.100000). 414p3_pi_donor(pyrimidine008,0.100000). 415p3_pi_acceptor(pyrimidine008,0.100000). 416p3_sigma(pyrimidine008,0.100000). 417activity(pyrimidine008,0.634000). 418p1_polar(pyrimidine009,0.900000). 419p1_size(pyrimidine009,0.420000). 420p1_flex(pyrimidine009,0.100000). 421p1_h_donor(pyrimidine009,0.100000). 422p1_h_acceptor(pyrimidine009,0.100000). 423p1_pi_donor(pyrimidine009,0.100000). 424p1_pi_acceptor(pyrimidine009,0.900000). 425p1_polarizable(pyrimidine009,0.100000). 426p1_sigma(pyrimidine009,0.580000). 427p2_polar(pyrimidine009,0.420000). 428p2_size(pyrimidine009,0.420000). 429p2_flex(pyrimidine009,0.100000). 430p2_h_donor(pyrimidine009,0.500000). 431p2_h_acceptor(pyrimidine009,0.500000). 432p2_pi_donor(pyrimidine009,0.500000). 433p2_pi_acceptor(pyrimidine009,0.100000). 434p2_polarizable(pyrimidine009,0.500000). 435p2_sigma(pyrimidine009,0.260000). 436p3_polar(pyrimidine009,0.367000). 437p3_size(pyrimidine009,0.100000). 438p3_flex(pyrimidine009,0.100000). 439p3_h_donor(pyrimidine009,0.100000). 440p3_h_acceptor(pyrimidine009,0.100000). 441p3_pi_donor(pyrimidine009,0.100000). 442p3_pi_acceptor(pyrimidine009,0.100000). 443p3_sigma(pyrimidine009,0.100000). 444activity(pyrimidine009,0.639000). 445p1_polar(pyrimidine010,0.500000). 446p1_size(pyrimidine010,0.260000). 447p1_flex(pyrimidine010,0.100000). 448p1_h_donor(pyrimidine010,0.900000). 449p1_h_acceptor(pyrimidine010,0.900000). 450p1_pi_donor(pyrimidine010,0.900000). 451p1_pi_acceptor(pyrimidine010,0.100000). 452p1_polarizable(pyrimidine010,0.367000). 453p1_sigma(pyrimidine010,0.420000). 454p2_polar(pyrimidine010,0.260000). 455p2_size(pyrimidine010,0.100000). 456p2_flex(pyrimidine010,0.100000). 457p2_h_donor(pyrimidine010,0.100000). 458p2_h_acceptor(pyrimidine010,0.100000). 459p2_pi_donor(pyrimidine010,0.100000). 460p2_pi_acceptor(pyrimidine010,0.100000). 461p2_polarizable(pyrimidine010,0.100000). 462p2_sigma(pyrimidine010,0.100000). 463p3_polar(pyrimidine010,0.900000). 464p3_size(pyrimidine010,0.367000). 465p3_flex(pyrimidine010,0.100000). 466p3_h_donor(pyrimidine010,0.900000). 467p3_h_acceptor(pyrimidine010,0.900000). 468p3_pi_donor(pyrimidine010,0.900000). 469p3_pi_acceptor(pyrimidine010,0.367000). 470p3_sigma(pyrimidine010,0.633000). 471activity(pyrimidine010,0.100000). 472p1_polar(pyrimidine011,0.100000). 473p1_size(pyrimidine011,0.100000). 474p1_flex(pyrimidine011,0.100000). 475p1_h_donor(pyrimidine011,0.100000). 476p1_h_acceptor(pyrimidine011,0.100000). 477p1_pi_donor(pyrimidine011,0.100000). 478p1_pi_acceptor(pyrimidine011,0.100000). 479p1_polarizable(pyrimidine011,0.100000). 480p1_sigma(pyrimidine011,0.100000). 481p2_polar(pyrimidine011,0.420000). 482p2_size(pyrimidine011,0.260000). 483p2_flex(pyrimidine011,0.100000). 484p2_h_donor(pyrimidine011,0.900000). 485p2_h_acceptor(pyrimidine011,0.100000). 486p2_pi_donor(pyrimidine011,0.900000). 487p2_pi_acceptor(pyrimidine011,0.100000). 488p2_polarizable(pyrimidine011,0.100000). 489p2_sigma(pyrimidine011,0.260000). 490p3_polar(pyrimidine011,0.367000). 491p3_size(pyrimidine011,0.100000). 492p3_flex(pyrimidine011,0.100000). 493p3_h_donor(pyrimidine011,0.100000). 494p3_h_acceptor(pyrimidine011,0.100000). 495p3_pi_donor(pyrimidine011,0.100000). 496p3_pi_acceptor(pyrimidine011,0.100000). 497p3_sigma(pyrimidine011,0.100000). 498activity(pyrimidine011,0.547000). 499p1_polar(pyrimidine012,0.100000). 500p1_size(pyrimidine012,0.100000). 501p1_flex(pyrimidine012,0.100000). 502p1_h_donor(pyrimidine012,0.100000). 503p1_h_acceptor(pyrimidine012,0.100000). 504p1_pi_donor(pyrimidine012,0.100000). 505p1_pi_acceptor(pyrimidine012,0.100000). 506p1_polarizable(pyrimidine012,0.100000). 507p1_sigma(pyrimidine012,0.100000). 508p2_polar(pyrimidine012,0.580000). 509p2_size(pyrimidine012,0.260000). 510p2_flex(pyrimidine012,0.100000). 511p2_h_donor(pyrimidine012,0.100000). 512p2_h_acceptor(pyrimidine012,0.100000). 513p2_pi_donor(pyrimidine012,0.500000). 514p2_pi_acceptor(pyrimidine012,0.100000). 515p2_polarizable(pyrimidine012,0.500000). 516p2_sigma(pyrimidine012,0.580000). 517p3_polar(pyrimidine012,0.367000). 518p3_size(pyrimidine012,0.100000). 519p3_flex(pyrimidine012,0.100000). 520p3_h_donor(pyrimidine012,0.100000). 521p3_h_acceptor(pyrimidine012,0.100000). 522p3_pi_donor(pyrimidine012,0.100000). 523p3_pi_acceptor(pyrimidine012,0.100000). 524p3_sigma(pyrimidine012,0.100000). 525activity(pyrimidine012,0.568000). 526p1_polar(pyrimidine013,0.100000). 527p1_size(pyrimidine013,0.100000). 528p1_flex(pyrimidine013,0.100000). 529p1_h_donor(pyrimidine013,0.100000). 530p1_h_acceptor(pyrimidine013,0.100000). 531p1_pi_donor(pyrimidine013,0.100000). 532p1_pi_acceptor(pyrimidine013,0.100000). 533p1_polarizable(pyrimidine013,0.100000). 534p1_sigma(pyrimidine013,0.100000). 535p2_polar(pyrimidine013,0.420000). 536p2_size(pyrimidine013,0.900000). 537p2_flex(pyrimidine013,0.700000). 538p2_h_donor(pyrimidine013,0.100000). 539p2_h_acceptor(pyrimidine013,0.500000). 540p2_pi_donor(pyrimidine013,0.500000). 541p2_pi_acceptor(pyrimidine013,0.100000). 542p2_polarizable(pyrimidine013,0.500000). 543p2_sigma(pyrimidine013,0.260000). 544p3_polar(pyrimidine013,0.367000). 545p3_size(pyrimidine013,0.100000). 546p3_flex(pyrimidine013,0.100000). 547p3_h_donor(pyrimidine013,0.100000). 548p3_h_acceptor(pyrimidine013,0.100000). 549p3_pi_donor(pyrimidine013,0.100000). 550p3_pi_acceptor(pyrimidine013,0.100000). 551p3_sigma(pyrimidine013,0.100000). 552activity(pyrimidine013,0.516000). 553p1_polar(pyrimidine014,0.500000). 554p1_size(pyrimidine014,0.260000). 555p1_flex(pyrimidine014,0.100000). 556p1_h_donor(pyrimidine014,0.100000). 557p1_h_acceptor(pyrimidine014,0.100000). 558p1_pi_donor(pyrimidine014,0.500000). 559p1_pi_acceptor(pyrimidine014,0.100000). 560p1_polarizable(pyrimidine014,0.367000). 561p1_sigma(pyrimidine014,0.580000). 562p2_polar(pyrimidine014,0.420000). 563p2_size(pyrimidine014,0.260000). 564p2_flex(pyrimidine014,0.100000). 565p2_h_donor(pyrimidine014,0.900000). 566p2_h_acceptor(pyrimidine014,0.100000). 567p2_pi_donor(pyrimidine014,0.900000). 568p2_pi_acceptor(pyrimidine014,0.100000). 569p2_polarizable(pyrimidine014,0.100000). 570p2_sigma(pyrimidine014,0.260000). 571p3_polar(pyrimidine014,0.367000). 572p3_size(pyrimidine014,0.367000). 573p3_flex(pyrimidine014,0.100000). 574p3_h_donor(pyrimidine014,0.100000). 575p3_h_acceptor(pyrimidine014,0.100000). 576p3_pi_donor(pyrimidine014,0.100000). 577p3_pi_acceptor(pyrimidine014,0.367000). 578p3_sigma(pyrimidine014,0.100000). 579activity(pyrimidine014,0.900000). 580p1_polar(pyrimidine015,0.900000). 581p1_size(pyrimidine015,0.260000). 582p1_flex(pyrimidine015,0.100000). 583p1_h_donor(pyrimidine015,0.100000). 584p1_h_acceptor(pyrimidine015,0.500000). 585p1_pi_donor(pyrimidine015,0.100000). 586p1_pi_acceptor(pyrimidine015,0.100000). 587p1_polarizable(pyrimidine015,0.100000). 588p1_sigma(pyrimidine015,0.900000). 589p2_polar(pyrimidine015,0.260000). 590p2_size(pyrimidine015,0.100000). 591p2_flex(pyrimidine015,0.100000). 592p2_h_donor(pyrimidine015,0.100000). 593p2_h_acceptor(pyrimidine015,0.100000). 594p2_pi_donor(pyrimidine015,0.100000). 595p2_pi_acceptor(pyrimidine015,0.100000). 596p2_polarizable(pyrimidine015,0.100000). 597p2_sigma(pyrimidine015,0.100000). 598p3_polar(pyrimidine015,0.367000). 599p3_size(pyrimidine015,0.100000). 600p3_flex(pyrimidine015,0.100000). 601p3_h_donor(pyrimidine015,0.100000). 602p3_h_acceptor(pyrimidine015,0.100000). 603p3_pi_donor(pyrimidine015,0.100000). 604p3_pi_acceptor(pyrimidine015,0.100000). 605p3_sigma(pyrimidine015,0.100000). 606activity(pyrimidine015,0.538000). 607p1_polar(pyrimidine016,0.100000). 608p1_size(pyrimidine016,0.100000). 609p1_flex(pyrimidine016,0.100000). 610p1_h_donor(pyrimidine016,0.100000). 611p1_h_acceptor(pyrimidine016,0.100000). 612p1_pi_donor(pyrimidine016,0.100000). 613p1_pi_acceptor(pyrimidine016,0.100000). 614p1_polarizable(pyrimidine016,0.100000). 615p1_sigma(pyrimidine016,0.100000). 616p2_polar(pyrimidine016,0.260000). 617p2_size(pyrimidine016,0.100000). 618p2_flex(pyrimidine016,0.100000). 619p2_h_donor(pyrimidine016,0.100000). 620p2_h_acceptor(pyrimidine016,0.100000). 621p2_pi_donor(pyrimidine016,0.100000). 622p2_pi_acceptor(pyrimidine016,0.100000). 623p2_polarizable(pyrimidine016,0.100000). 624p2_sigma(pyrimidine016,0.100000). 625p3_polar(pyrimidine016,0.367000). 626p3_size(pyrimidine016,0.100000). 627p3_flex(pyrimidine016,0.100000). 628p3_h_donor(pyrimidine016,0.100000). 629p3_h_acceptor(pyrimidine016,0.100000). 630p3_pi_donor(pyrimidine016,0.100000). 631p3_pi_acceptor(pyrimidine016,0.100000). 632p3_sigma(pyrimidine016,0.100000). 633activity(pyrimidine016,0.531000). 634p1_polar(pyrimidine017,0.300000). 635p1_size(pyrimidine017,0.420000). 636p1_flex(pyrimidine017,0.100000). 637p1_h_donor(pyrimidine017,0.100000). 638p1_h_acceptor(pyrimidine017,0.500000). 639p1_pi_donor(pyrimidine017,0.500000). 640p1_pi_acceptor(pyrimidine017,0.100000). 641p1_polarizable(pyrimidine017,0.367000). 642p1_sigma(pyrimidine017,0.260000). 643p2_polar(pyrimidine017,0.420000). 644p2_size(pyrimidine017,0.900000). 645p2_flex(pyrimidine017,0.700000). 646p2_h_donor(pyrimidine017,0.100000). 647p2_h_acceptor(pyrimidine017,0.500000). 648p2_pi_donor(pyrimidine017,0.500000). 649p2_pi_acceptor(pyrimidine017,0.100000). 650p2_polarizable(pyrimidine017,0.500000). 651p2_sigma(pyrimidine017,0.260000). 652p3_polar(pyrimidine017,0.633000). 653p3_size(pyrimidine017,0.633000). 654p3_flex(pyrimidine017,0.100000). 655p3_h_donor(pyrimidine017,0.100000). 656p3_h_acceptor(pyrimidine017,0.500000). 657p3_pi_donor(pyrimidine017,0.500000). 658p3_pi_acceptor(pyrimidine017,0.367000). 659p3_sigma(pyrimidine017,0.367000). 660activity(pyrimidine017,0.763000). 661p1_polar(pyrimidine018,0.300000). 662p1_size(pyrimidine018,0.580000). 663p1_flex(pyrimidine018,0.500000). 664p1_h_donor(pyrimidine018,0.100000). 665p1_h_acceptor(pyrimidine018,0.500000). 666p1_pi_donor(pyrimidine018,0.500000). 667p1_pi_acceptor(pyrimidine018,0.100000). 668p1_polarizable(pyrimidine018,0.367000). 669p1_sigma(pyrimidine018,0.260000). 670p2_polar(pyrimidine018,0.260000). 671p2_size(pyrimidine018,0.100000). 672p2_flex(pyrimidine018,0.100000). 673p2_h_donor(pyrimidine018,0.100000). 674p2_h_acceptor(pyrimidine018,0.100000). 675p2_pi_donor(pyrimidine018,0.100000). 676p2_pi_acceptor(pyrimidine018,0.100000). 677p2_polarizable(pyrimidine018,0.100000). 678p2_sigma(pyrimidine018,0.100000). 679p3_polar(pyrimidine018,0.367000). 680p3_size(pyrimidine018,0.100000). 681p3_flex(pyrimidine018,0.100000). 682p3_h_donor(pyrimidine018,0.100000). 683p3_h_acceptor(pyrimidine018,0.100000). 684p3_pi_donor(pyrimidine018,0.100000). 685p3_pi_acceptor(pyrimidine018,0.100000). 686p3_sigma(pyrimidine018,0.100000). 687activity(pyrimidine018,0.619000). 688p1_polar(pyrimidine019,0.100000). 689p1_size(pyrimidine019,0.100000). 690p1_flex(pyrimidine019,0.100000). 691p1_h_donor(pyrimidine019,0.100000). 692p1_h_acceptor(pyrimidine019,0.100000). 693p1_pi_donor(pyrimidine019,0.100000). 694p1_pi_acceptor(pyrimidine019,0.100000). 695p1_polarizable(pyrimidine019,0.100000). 696p1_sigma(pyrimidine019,0.100000). 697p2_polar(pyrimidine019,0.260000). 698p2_size(pyrimidine019,0.420000). 699p2_flex(pyrimidine019,0.100000). 700p2_h_donor(pyrimidine019,0.100000). 701p2_h_acceptor(pyrimidine019,0.500000). 702p2_pi_donor(pyrimidine019,0.900000). 703p2_pi_acceptor(pyrimidine019,0.100000). 704p2_polarizable(pyrimidine019,0.500000). 705p2_sigma(pyrimidine019,0.260000). 706p3_polar(pyrimidine019,0.367000). 707p3_size(pyrimidine019,0.100000). 708p3_flex(pyrimidine019,0.100000). 709p3_h_donor(pyrimidine019,0.100000). 710p3_h_acceptor(pyrimidine019,0.100000). 711p3_pi_donor(pyrimidine019,0.100000). 712p3_pi_acceptor(pyrimidine019,0.100000). 713p3_sigma(pyrimidine019,0.100000). 714activity(pyrimidine019,0.613000). 715p1_polar(pyrimidine020,0.100000). 716p1_size(pyrimidine020,0.100000). 717p1_flex(pyrimidine020,0.100000). 718p1_h_donor(pyrimidine020,0.100000). 719p1_h_acceptor(pyrimidine020,0.100000). 720p1_pi_donor(pyrimidine020,0.100000). 721p1_pi_acceptor(pyrimidine020,0.100000). 722p1_polarizable(pyrimidine020,0.100000). 723p1_sigma(pyrimidine020,0.100000). 724p2_polar(pyrimidine020,0.420000). 725p2_size(pyrimidine020,0.420000). 726p2_flex(pyrimidine020,0.100000). 727p2_h_donor(pyrimidine020,0.100000). 728p2_h_acceptor(pyrimidine020,0.500000). 729p2_pi_donor(pyrimidine020,0.500000). 730p2_pi_acceptor(pyrimidine020,0.100000). 731p2_polarizable(pyrimidine020,0.500000). 732p2_sigma(pyrimidine020,0.260000). 733p3_polar(pyrimidine020,0.367000). 734p3_size(pyrimidine020,0.100000). 735p3_flex(pyrimidine020,0.100000). 736p3_h_donor(pyrimidine020,0.100000). 737p3_h_acceptor(pyrimidine020,0.100000). 738p3_pi_donor(pyrimidine020,0.100000). 739p3_pi_acceptor(pyrimidine020,0.100000). 740p3_sigma(pyrimidine020,0.100000). 741activity(pyrimidine020,0.619000). 742p1_polar(pyrimidine021,0.300000). 743p1_size(pyrimidine021,0.420000). 744p1_flex(pyrimidine021,0.100000). 745p1_h_donor(pyrimidine021,0.100000). 746p1_h_acceptor(pyrimidine021,0.500000). 747p1_pi_donor(pyrimidine021,0.500000). 748p1_pi_acceptor(pyrimidine021,0.100000). 749p1_polarizable(pyrimidine021,0.367000). 750p1_sigma(pyrimidine021,0.260000). 751p2_polar(pyrimidine021,0.260000). 752p2_size(pyrimidine021,0.260000). 753p2_flex(pyrimidine021,0.100000). 754p2_h_donor(pyrimidine021,0.100000). 755p2_h_acceptor(pyrimidine021,0.100000). 756p2_pi_donor(pyrimidine021,0.100000). 757p2_pi_acceptor(pyrimidine021,0.100000). 758p2_polarizable(pyrimidine021,0.500000). 759p2_sigma(pyrimidine021,0.100000). 760p3_polar(pyrimidine021,0.633000). 761p3_size(pyrimidine021,0.633000). 762p3_flex(pyrimidine021,0.100000). 763p3_h_donor(pyrimidine021,0.100000). 764p3_h_acceptor(pyrimidine021,0.500000). 765p3_pi_donor(pyrimidine021,0.500000). 766p3_pi_acceptor(pyrimidine021,0.367000). 767p3_sigma(pyrimidine021,0.367000). 768activity(pyrimidine021,0.859000). 769p1_polar(pyrimidine022,0.300000). 770p1_size(pyrimidine022,0.900000). 771p1_flex(pyrimidine022,0.900000). 772p1_h_donor(pyrimidine022,0.100000). 773p1_h_acceptor(pyrimidine022,0.500000). 774p1_pi_donor(pyrimidine022,0.500000). 775p1_pi_acceptor(pyrimidine022,0.100000). 776p1_polarizable(pyrimidine022,0.367000). 777p1_sigma(pyrimidine022,0.260000). 778p2_polar(pyrimidine022,0.260000). 779p2_size(pyrimidine022,0.100000). 780p2_flex(pyrimidine022,0.100000). 781p2_h_donor(pyrimidine022,0.100000). 782p2_h_acceptor(pyrimidine022,0.100000). 783p2_pi_donor(pyrimidine022,0.100000). 784p2_pi_acceptor(pyrimidine022,0.100000). 785p2_polarizable(pyrimidine022,0.100000). 786p2_sigma(pyrimidine022,0.100000). 787p3_polar(pyrimidine022,0.367000). 788p3_size(pyrimidine022,0.100000). 789p3_flex(pyrimidine022,0.100000). 790p3_h_donor(pyrimidine022,0.100000). 791p3_h_acceptor(pyrimidine022,0.100000). 792p3_pi_donor(pyrimidine022,0.100000). 793p3_pi_acceptor(pyrimidine022,0.100000). 794p3_sigma(pyrimidine022,0.100000). 795activity(pyrimidine022,0.540000). 796p1_polar(pyrimidine023,0.300000). 797p1_size(pyrimidine023,0.260000). 798p1_flex(pyrimidine023,0.100000). 799p1_h_donor(pyrimidine023,0.100000). 800p1_h_acceptor(pyrimidine023,0.100000). 801p1_pi_donor(pyrimidine023,0.500000). 802p1_pi_acceptor(pyrimidine023,0.100000). 803p1_polarizable(pyrimidine023,0.900000). 804p1_sigma(pyrimidine023,0.260000). 805p2_polar(pyrimidine023,0.420000). 806p2_size(pyrimidine023,0.420000). 807p2_flex(pyrimidine023,0.100000). 808p2_h_donor(pyrimidine023,0.100000). 809p2_h_acceptor(pyrimidine023,0.500000). 810p2_pi_donor(pyrimidine023,0.500000). 811p2_pi_acceptor(pyrimidine023,0.100000). 812p2_polarizable(pyrimidine023,0.500000). 813p2_sigma(pyrimidine023,0.260000). 814p3_polar(pyrimidine023,0.633000). 815p3_size(pyrimidine023,0.367000). 816p3_flex(pyrimidine023,0.100000). 817p3_h_donor(pyrimidine023,0.100000). 818p3_h_acceptor(pyrimidine023,0.100000). 819p3_pi_donor(pyrimidine023,0.500000). 820p3_pi_acceptor(pyrimidine023,0.900000). 821p3_sigma(pyrimidine023,0.367000). 822activity(pyrimidine023,0.893000). 823p1_polar(pyrimidine024,0.300000). 824p1_size(pyrimidine024,0.420000). 825p1_flex(pyrimidine024,0.100000). 826p1_h_donor(pyrimidine024,0.100000). 827p1_h_acceptor(pyrimidine024,0.500000). 828p1_pi_donor(pyrimidine024,0.500000). 829p1_pi_acceptor(pyrimidine024,0.100000). 830p1_polarizable(pyrimidine024,0.367000). 831p1_sigma(pyrimidine024,0.260000). 832p2_polar(pyrimidine024,0.420000). 833p2_size(pyrimidine024,0.740000). 834p2_flex(pyrimidine024,0.300000). 835p2_h_donor(pyrimidine024,0.100000). 836p2_h_acceptor(pyrimidine024,0.500000). 837p2_pi_donor(pyrimidine024,0.500000). 838p2_pi_acceptor(pyrimidine024,0.100000). 839p2_polarizable(pyrimidine024,0.500000). 840p2_sigma(pyrimidine024,0.260000). 841p3_polar(pyrimidine024,0.633000). 842p3_size(pyrimidine024,0.633000). 843p3_flex(pyrimidine024,0.100000). 844p3_h_donor(pyrimidine024,0.100000). 845p3_h_acceptor(pyrimidine024,0.500000). 846p3_pi_donor(pyrimidine024,0.500000). 847p3_pi_acceptor(pyrimidine024,0.367000). 848p3_sigma(pyrimidine024,0.367000). 849activity(pyrimidine024,0.838000). 850p1_polar(pyrimidine025,0.500000). 851p1_size(pyrimidine025,0.260000). 852p1_flex(pyrimidine025,0.100000). 853p1_h_donor(pyrimidine025,0.100000). 854p1_h_acceptor(pyrimidine025,0.100000). 855p1_pi_donor(pyrimidine025,0.500000). 856p1_pi_acceptor(pyrimidine025,0.100000). 857p1_polarizable(pyrimidine025,0.633000). 858p1_sigma(pyrimidine025,0.420000). 859p2_polar(pyrimidine025,0.420000). 860p2_size(pyrimidine025,0.260000). 861p2_flex(pyrimidine025,0.100000). 862p2_h_donor(pyrimidine025,0.900000). 863p2_h_acceptor(pyrimidine025,0.100000). 864p2_pi_donor(pyrimidine025,0.900000). 865p2_pi_acceptor(pyrimidine025,0.100000). 866p2_polarizable(pyrimidine025,0.100000). 867p2_sigma(pyrimidine025,0.260000). 868p3_polar(pyrimidine025,0.900000). 869p3_size(pyrimidine025,0.367000). 870p3_flex(pyrimidine025,0.100000). 871p3_h_donor(pyrimidine025,0.100000). 872p3_h_acceptor(pyrimidine025,0.100000). 873p3_pi_donor(pyrimidine025,0.500000). 874p3_pi_acceptor(pyrimidine025,0.633000). 875p3_sigma(pyrimidine025,0.633000). 876activity(pyrimidine025,0.897000). 877p1_polar(pyrimidine026,0.100000). 878p1_size(pyrimidine026,0.260000). 879p1_flex(pyrimidine026,0.100000). 880p1_h_donor(pyrimidine026,0.100000). 881p1_h_acceptor(pyrimidine026,0.100000). 882p1_pi_donor(pyrimidine026,0.100000). 883p1_pi_acceptor(pyrimidine026,0.100000). 884p1_polarizable(pyrimidine026,0.367000). 885p1_sigma(pyrimidine026,0.100000). 886p2_polar(pyrimidine026,0.420000). 887p2_size(pyrimidine026,0.420000). 888p2_flex(pyrimidine026,0.100000). 889p2_h_donor(pyrimidine026,0.100000). 890p2_h_acceptor(pyrimidine026,0.500000). 891p2_pi_donor(pyrimidine026,0.500000). 892p2_pi_acceptor(pyrimidine026,0.100000). 893p2_polarizable(pyrimidine026,0.500000). 894p2_sigma(pyrimidine026,0.260000). 895p3_polar(pyrimidine026,0.367000). 896p3_size(pyrimidine026,0.367000). 897p3_flex(pyrimidine026,0.100000). 898p3_h_donor(pyrimidine026,0.100000). 899p3_h_acceptor(pyrimidine026,0.100000). 900p3_pi_donor(pyrimidine026,0.100000). 901p3_pi_acceptor(pyrimidine026,0.367000). 902p3_sigma(pyrimidine026,0.100000). 903activity(pyrimidine026,0.745000). 904p1_polar(pyrimidine027,0.300000). 905p1_size(pyrimidine027,0.900000). 906p1_flex(pyrimidine027,0.800000). 907p1_h_donor(pyrimidine027,0.100000). 908p1_h_acceptor(pyrimidine027,0.500000). 909p1_pi_donor(pyrimidine027,0.500000). 910p1_pi_acceptor(pyrimidine027,0.100000). 911p1_polarizable(pyrimidine027,0.367000). 912p1_sigma(pyrimidine027,0.260000). 913p2_polar(pyrimidine027,0.260000). 914p2_size(pyrimidine027,0.100000). 915p2_flex(pyrimidine027,0.100000). 916p2_h_donor(pyrimidine027,0.100000). 917p2_h_acceptor(pyrimidine027,0.100000). 918p2_pi_donor(pyrimidine027,0.100000). 919p2_pi_acceptor(pyrimidine027,0.100000). 920p2_polarizable(pyrimidine027,0.100000). 921p2_sigma(pyrimidine027,0.100000). 922p3_polar(pyrimidine027,0.367000). 923p3_size(pyrimidine027,0.100000). 924p3_flex(pyrimidine027,0.100000). 925p3_h_donor(pyrimidine027,0.100000). 926p3_h_acceptor(pyrimidine027,0.100000). 927p3_pi_donor(pyrimidine027,0.100000). 928p3_pi_acceptor(pyrimidine027,0.100000). 929p3_sigma(pyrimidine027,0.100000). 930activity(pyrimidine027,0.560000). 931p1_polar(pyrimidine028,0.100000). 932p1_size(pyrimidine028,0.100000). 933p1_flex(pyrimidine028,0.100000). 934p1_h_donor(pyrimidine028,0.100000). 935p1_h_acceptor(pyrimidine028,0.100000). 936p1_pi_donor(pyrimidine028,0.100000). 937p1_pi_acceptor(pyrimidine028,0.100000). 938p1_polarizable(pyrimidine028,0.100000). 939p1_sigma(pyrimidine028,0.100000). 940p2_polar(pyrimidine028,0.740000). 941p2_size(pyrimidine028,0.420000). 942p2_flex(pyrimidine028,0.100000). 943p2_h_donor(pyrimidine028,0.100000). 944p2_h_acceptor(pyrimidine028,0.100000). 945p2_pi_donor(pyrimidine028,0.100000). 946p2_pi_acceptor(pyrimidine028,0.900000). 947p2_polarizable(pyrimidine028,0.100000). 948p2_sigma(pyrimidine028,0.580000). 949p3_polar(pyrimidine028,0.367000). 950p3_size(pyrimidine028,0.100000). 951p3_flex(pyrimidine028,0.100000). 952p3_h_donor(pyrimidine028,0.100000). 953p3_h_acceptor(pyrimidine028,0.100000). 954p3_pi_donor(pyrimidine028,0.100000). 955p3_pi_acceptor(pyrimidine028,0.100000). 956p3_sigma(pyrimidine028,0.100000). 957activity(pyrimidine028,0.584000). 958p1_polar(pyrimidine029,0.300000). 959p1_size(pyrimidine029,0.420000). 960p1_flex(pyrimidine029,0.100000). 961p1_h_donor(pyrimidine029,0.100000). 962p1_h_acceptor(pyrimidine029,0.500000). 963p1_pi_donor(pyrimidine029,0.500000). 964p1_pi_acceptor(pyrimidine029,0.100000). 965p1_polarizable(pyrimidine029,0.367000). 966p1_sigma(pyrimidine029,0.260000). 967p2_polar(pyrimidine029,0.420000). 968p2_size(pyrimidine029,0.420000). 969p2_flex(pyrimidine029,0.100000). 970p2_h_donor(pyrimidine029,0.100000). 971p2_h_acceptor(pyrimidine029,0.500000). 972p2_pi_donor(pyrimidine029,0.500000). 973p2_pi_acceptor(pyrimidine029,0.100000). 974p2_polarizable(pyrimidine029,0.500000). 975p2_sigma(pyrimidine029,0.260000). 976p3_polar(pyrimidine029,0.633000). 977p3_size(pyrimidine029,0.633000). 978p3_flex(pyrimidine029,0.100000). 979p3_h_donor(pyrimidine029,0.100000). 980p3_h_acceptor(pyrimidine029,0.500000). 981p3_pi_donor(pyrimidine029,0.500000). 982p3_pi_acceptor(pyrimidine029,0.367000). 983p3_sigma(pyrimidine029,0.367000). 984activity(pyrimidine029,0.900000). 985p1_polar(pyrimidine030,0.300000). 986p1_size(pyrimidine030,0.260000). 987p1_flex(pyrimidine030,0.100000). 988p1_h_donor(pyrimidine030,0.100000). 989p1_h_acceptor(pyrimidine030,0.100000). 990p1_pi_donor(pyrimidine030,0.500000). 991p1_pi_acceptor(pyrimidine030,0.100000). 992p1_polarizable(pyrimidine030,0.900000). 993p1_sigma(pyrimidine030,0.260000). 994p2_polar(pyrimidine030,0.580000). 995p2_size(pyrimidine030,0.260000). 996p2_flex(pyrimidine030,0.100000). 997p2_h_donor(pyrimidine030,0.900000). 998p2_h_acceptor(pyrimidine030,0.900000). 999p2_pi_donor(pyrimidine030,0.900000). 1000p2_pi_acceptor(pyrimidine030,0.100000). 1001p2_polarizable(pyrimidine030,0.500000). 1002p2_sigma(pyrimidine030,0.420000). 1003p3_polar(pyrimidine030,0.633000). 1004p3_size(pyrimidine030,0.367000). 1005p3_flex(pyrimidine030,0.100000). 1006p3_h_donor(pyrimidine030,0.100000). 1007p3_h_acceptor(pyrimidine030,0.100000). 1008p3_pi_donor(pyrimidine030,0.500000). 1009p3_pi_acceptor(pyrimidine030,0.900000). 1010p3_sigma(pyrimidine030,0.367000). 1011activity(pyrimidine030,0.893000). 1012p1_polar(pyrimidine031,0.300000). 1013p1_size(pyrimidine031,0.580000). 1014p1_flex(pyrimidine031,0.500000). 1015p1_h_donor(pyrimidine031,0.100000). 1016p1_h_acceptor(pyrimidine031,0.900000). 1017p1_pi_donor(pyrimidine031,0.500000). 1018p1_pi_acceptor(pyrimidine031,0.100000). 1019p1_polarizable(pyrimidine031,0.367000). 1020p1_sigma(pyrimidine031,0.260000). 1021p2_polar(pyrimidine031,0.420000). 1022p2_size(pyrimidine031,0.580000). 1023p2_flex(pyrimidine031,0.500000). 1024p2_h_donor(pyrimidine031,0.100000). 1025p2_h_acceptor(pyrimidine031,0.900000). 1026p2_pi_donor(pyrimidine031,0.500000). 1027p2_pi_acceptor(pyrimidine031,0.100000). 1028p2_polarizable(pyrimidine031,0.500000). 1029p2_sigma(pyrimidine031,0.260000). 1030p3_polar(pyrimidine031,0.367000). 1031p3_size(pyrimidine031,0.100000). 1032p3_flex(pyrimidine031,0.100000). 1033p3_h_donor(pyrimidine031,0.100000). 1034p3_h_acceptor(pyrimidine031,0.100000). 1035p3_pi_donor(pyrimidine031,0.100000). 1036p3_pi_acceptor(pyrimidine031,0.100000). 1037p3_sigma(pyrimidine031,0.100000). 1038activity(pyrimidine031,0.674000). 1039p1_polar(pyrimidine032,0.500000). 1040p1_size(pyrimidine032,0.260000). 1041p1_flex(pyrimidine032,0.100000). 1042p1_h_donor(pyrimidine032,0.900000). 1043p1_h_acceptor(pyrimidine032,0.900000). 1044p1_pi_donor(pyrimidine032,0.900000). 1045p1_pi_acceptor(pyrimidine032,0.100000). 1046p1_polarizable(pyrimidine032,0.367000). 1047p1_sigma(pyrimidine032,0.420000). 1048p2_polar(pyrimidine032,0.580000). 1049p2_size(pyrimidine032,0.260000). 1050p2_flex(pyrimidine032,0.100000). 1051p2_h_donor(pyrimidine032,0.900000). 1052p2_h_acceptor(pyrimidine032,0.900000). 1053p2_pi_donor(pyrimidine032,0.900000). 1054p2_pi_acceptor(pyrimidine032,0.100000). 1055p2_polarizable(pyrimidine032,0.500000). 1056p2_sigma(pyrimidine032,0.420000). 1057p3_polar(pyrimidine032,0.367000). 1058p3_size(pyrimidine032,0.100000). 1059p3_flex(pyrimidine032,0.100000). 1060p3_h_donor(pyrimidine032,0.100000). 1061p3_h_acceptor(pyrimidine032,0.100000). 1062p3_pi_donor(pyrimidine032,0.100000). 1063p3_pi_acceptor(pyrimidine032,0.100000). 1064p3_sigma(pyrimidine032,0.100000). 1065activity(pyrimidine032,0.569000). 1066p1_polar(pyrimidine033,0.300000). 1067p1_size(pyrimidine033,0.580000). 1068p1_flex(pyrimidine033,0.500000). 1069p1_h_donor(pyrimidine033,0.100000). 1070p1_h_acceptor(pyrimidine033,0.900000). 1071p1_pi_donor(pyrimidine033,0.500000). 1072p1_pi_acceptor(pyrimidine033,0.100000). 1073p1_polarizable(pyrimidine033,0.367000). 1074p1_sigma(pyrimidine033,0.260000). 1075p2_polar(pyrimidine033,0.260000). 1076p2_size(pyrimidine033,0.100000). 1077p2_flex(pyrimidine033,0.100000). 1078p2_h_donor(pyrimidine033,0.100000). 1079p2_h_acceptor(pyrimidine033,0.100000). 1080p2_pi_donor(pyrimidine033,0.100000). 1081p2_pi_acceptor(pyrimidine033,0.100000). 1082p2_polarizable(pyrimidine033,0.100000). 1083p2_sigma(pyrimidine033,0.100000). 1084p3_polar(pyrimidine033,0.367000). 1085p3_size(pyrimidine033,0.100000). 1086p3_flex(pyrimidine033,0.100000). 1087p3_h_donor(pyrimidine033,0.100000). 1088p3_h_acceptor(pyrimidine033,0.100000). 1089p3_pi_donor(pyrimidine033,0.100000). 1090p3_pi_acceptor(pyrimidine033,0.100000). 1091p3_sigma(pyrimidine033,0.100000). 1092activity(pyrimidine033,0.579000). 1093p1_polar(pyrimidine034,0.300000). 1094p1_size(pyrimidine034,0.740000). 1095p1_flex(pyrimidine034,0.300000). 1096p1_h_donor(pyrimidine034,0.100000). 1097p1_h_acceptor(pyrimidine034,0.500000). 1098p1_pi_donor(pyrimidine034,0.500000). 1099p1_pi_acceptor(pyrimidine034,0.100000). 1100p1_polarizable(pyrimidine034,0.367000). 1101p1_sigma(pyrimidine034,0.260000). 1102p2_polar(pyrimidine034,0.260000). 1103p2_size(pyrimidine034,0.100000). 1104p2_flex(pyrimidine034,0.100000). 1105p2_h_donor(pyrimidine034,0.100000). 1106p2_h_acceptor(pyrimidine034,0.100000). 1107p2_pi_donor(pyrimidine034,0.100000). 1108p2_pi_acceptor(pyrimidine034,0.100000). 1109p2_polarizable(pyrimidine034,0.100000). 1110p2_sigma(pyrimidine034,0.100000). 1111p3_polar(pyrimidine034,0.367000). 1112p3_size(pyrimidine034,0.100000). 1113p3_flex(pyrimidine034,0.100000). 1114p3_h_donor(pyrimidine034,0.100000). 1115p3_h_acceptor(pyrimidine034,0.100000). 1116p3_pi_donor(pyrimidine034,0.100000). 1117p3_pi_acceptor(pyrimidine034,0.100000). 1118p3_sigma(pyrimidine034,0.100000). 1119activity(pyrimidine034,0.642000). 1120p1_polar(pyrimidine035,0.100000). 1121p1_size(pyrimidine035,0.260000). 1122p1_flex(pyrimidine035,0.100000). 1123p1_h_donor(pyrimidine035,0.100000). 1124p1_h_acceptor(pyrimidine035,0.100000). 1125p1_pi_donor(pyrimidine035,0.100000). 1126p1_pi_acceptor(pyrimidine035,0.100000). 1127p1_polarizable(pyrimidine035,0.367000). 1128p1_sigma(pyrimidine035,0.100000). 1129p2_polar(pyrimidine035,0.580000). 1130p2_size(pyrimidine035,0.260000). 1131p2_flex(pyrimidine035,0.100000). 1132p2_h_donor(pyrimidine035,0.900000). 1133p2_h_acceptor(pyrimidine035,0.900000). 1134p2_pi_donor(pyrimidine035,0.900000). 1135p2_pi_acceptor(pyrimidine035,0.100000). 1136p2_polarizable(pyrimidine035,0.500000). 1137p2_sigma(pyrimidine035,0.420000). 1138p3_polar(pyrimidine035,0.367000). 1139p3_size(pyrimidine035,0.367000). 1140p3_flex(pyrimidine035,0.100000). 1141p3_h_donor(pyrimidine035,0.100000). 1142p3_h_acceptor(pyrimidine035,0.100000). 1143p3_pi_donor(pyrimidine035,0.100000). 1144p3_pi_acceptor(pyrimidine035,0.367000). 1145p3_sigma(pyrimidine035,0.100000). 1146activity(pyrimidine035,0.720000). 1147p1_polar(pyrimidine036,0.100000). 1148p1_size(pyrimidine036,0.100000). 1149p1_flex(pyrimidine036,0.100000). 1150p1_h_donor(pyrimidine036,0.100000). 1151p1_h_acceptor(pyrimidine036,0.100000). 1152p1_pi_donor(pyrimidine036,0.100000). 1153p1_pi_acceptor(pyrimidine036,0.100000). 1154p1_polarizable(pyrimidine036,0.100000). 1155p1_sigma(pyrimidine036,0.100000). 1156p2_polar(pyrimidine036,0.580000). 1157p2_size(pyrimidine036,0.260000). 1158p2_flex(pyrimidine036,0.100000). 1159p2_h_donor(pyrimidine036,0.100000). 1160p2_h_acceptor(pyrimidine036,0.100000). 1161p2_pi_donor(pyrimidine036,0.500000). 1162p2_pi_acceptor(pyrimidine036,0.100000). 1163p2_polarizable(pyrimidine036,0.900000). 1164p2_sigma(pyrimidine036,0.420000). 1165p3_polar(pyrimidine036,0.367000). 1166p3_size(pyrimidine036,0.100000). 1167p3_flex(pyrimidine036,0.100000). 1168p3_h_donor(pyrimidine036,0.100000). 1169p3_h_acceptor(pyrimidine036,0.100000). 1170p3_pi_donor(pyrimidine036,0.100000). 1171p3_pi_acceptor(pyrimidine036,0.100000). 1172p3_sigma(pyrimidine036,0.100000). 1173activity(pyrimidine036,0.619000). 1174p1_polar(pyrimidine037,0.700000). 1175p1_size(pyrimidine037,0.580000). 1176p1_flex(pyrimidine037,0.200000). 1177p1_h_donor(pyrimidine037,0.100000). 1178p1_h_acceptor(pyrimidine037,0.100000). 1179p1_pi_donor(pyrimidine037,0.100000). 1180p1_pi_acceptor(pyrimidine037,0.500000). 1181p1_polarizable(pyrimidine037,0.633000). 1182p1_sigma(pyrimidine037,0.420000). 1183p2_polar(pyrimidine037,0.260000). 1184p2_size(pyrimidine037,0.100000). 1185p2_flex(pyrimidine037,0.100000). 1186p2_h_donor(pyrimidine037,0.100000). 1187p2_h_acceptor(pyrimidine037,0.100000). 1188p2_pi_donor(pyrimidine037,0.100000). 1189p2_pi_acceptor(pyrimidine037,0.100000). 1190p2_polarizable(pyrimidine037,0.100000). 1191p2_sigma(pyrimidine037,0.100000). 1192p3_polar(pyrimidine037,0.367000). 1193p3_size(pyrimidine037,0.100000). 1194p3_flex(pyrimidine037,0.100000). 1195p3_h_donor(pyrimidine037,0.100000). 1196p3_h_acceptor(pyrimidine037,0.100000). 1197p3_pi_donor(pyrimidine037,0.100000). 1198p3_pi_acceptor(pyrimidine037,0.100000). 1199p3_sigma(pyrimidine037,0.100000). 1200activity(pyrimidine037,0.632000). 1201p1_polar(pyrimidine038,0.100000). 1202p1_size(pyrimidine038,0.100000). 1203p1_flex(pyrimidine038,0.100000). 1204p1_h_donor(pyrimidine038,0.100000). 1205p1_h_acceptor(pyrimidine038,0.100000). 1206p1_pi_donor(pyrimidine038,0.100000). 1207p1_pi_acceptor(pyrimidine038,0.100000). 1208p1_polarizable(pyrimidine038,0.100000). 1209p1_sigma(pyrimidine038,0.100000). 1210p2_polar(pyrimidine038,0.420000). 1211p2_size(pyrimidine038,0.900000). 1212p2_flex(pyrimidine038,0.800000). 1213p2_h_donor(pyrimidine038,0.100000). 1214p2_h_acceptor(pyrimidine038,0.500000). 1215p2_pi_donor(pyrimidine038,0.500000). 1216p2_pi_acceptor(pyrimidine038,0.100000). 1217p2_polarizable(pyrimidine038,0.500000). 1218p2_sigma(pyrimidine038,0.260000). 1219p3_polar(pyrimidine038,0.367000). 1220p3_size(pyrimidine038,0.100000). 1221p3_flex(pyrimidine038,0.100000). 1222p3_h_donor(pyrimidine038,0.100000). 1223p3_h_acceptor(pyrimidine038,0.100000). 1224p3_pi_donor(pyrimidine038,0.100000). 1225p3_pi_acceptor(pyrimidine038,0.100000). 1226p3_sigma(pyrimidine038,0.100000). 1227activity(pyrimidine038,0.451000). 1228p1_polar(pyrimidine039,0.100000). 1229p1_size(pyrimidine039,0.100000). 1230p1_flex(pyrimidine039,0.100000). 1231p1_h_donor(pyrimidine039,0.100000). 1232p1_h_acceptor(pyrimidine039,0.100000). 1233p1_pi_donor(pyrimidine039,0.100000). 1234p1_pi_acceptor(pyrimidine039,0.100000). 1235p1_polarizable(pyrimidine039,0.100000). 1236p1_sigma(pyrimidine039,0.100000). 1237p2_polar(pyrimidine039,0.260000). 1238p2_size(pyrimidine039,0.260000). 1239p2_flex(pyrimidine039,0.100000). 1240p2_h_donor(pyrimidine039,0.100000). 1241p2_h_acceptor(pyrimidine039,0.100000). 1242p2_pi_donor(pyrimidine039,0.100000). 1243p2_pi_acceptor(pyrimidine039,0.100000). 1244p2_polarizable(pyrimidine039,0.500000). 1245p2_sigma(pyrimidine039,0.100000). 1246p3_polar(pyrimidine039,0.367000). 1247p3_size(pyrimidine039,0.100000). 1248p3_flex(pyrimidine039,0.100000). 1249p3_h_donor(pyrimidine039,0.100000). 1250p3_h_acceptor(pyrimidine039,0.100000). 1251p3_pi_donor(pyrimidine039,0.100000). 1252p3_pi_acceptor(pyrimidine039,0.100000). 1253p3_sigma(pyrimidine039,0.100000). 1254activity(pyrimidine039,0.572000). 1255p1_polar(pyrimidine040,0.500000). 1256p1_size(pyrimidine040,0.260000). 1257p1_flex(pyrimidine040,0.100000). 1258p1_h_donor(pyrimidine040,0.100000). 1259p1_h_acceptor(pyrimidine040,0.100000). 1260p1_pi_donor(pyrimidine040,0.100000). 1261p1_pi_acceptor(pyrimidine040,0.500000). 1262p1_polarizable(pyrimidine040,0.100000). 1263p1_sigma(pyrimidine040,0.580000). 1264p2_polar(pyrimidine040,0.420000). 1265p2_size(pyrimidine040,0.420000). 1266p2_flex(pyrimidine040,0.100000). 1267p2_h_donor(pyrimidine040,0.100000). 1268p2_h_acceptor(pyrimidine040,0.500000). 1269p2_pi_donor(pyrimidine040,0.500000). 1270p2_pi_acceptor(pyrimidine040,0.100000). 1271p2_polarizable(pyrimidine040,0.500000). 1272p2_sigma(pyrimidine040,0.260000). 1273p3_polar(pyrimidine040,0.367000). 1274p3_size(pyrimidine040,0.100000). 1275p3_flex(pyrimidine040,0.100000). 1276p3_h_donor(pyrimidine040,0.100000). 1277p3_h_acceptor(pyrimidine040,0.100000). 1278p3_pi_donor(pyrimidine040,0.100000). 1279p3_pi_acceptor(pyrimidine040,0.100000). 1280p3_sigma(pyrimidine040,0.100000). 1281activity(pyrimidine040,0.738000). 1282p1_polar(pyrimidine041,0.100000). 1283p1_size(pyrimidine041,0.100000). 1284p1_flex(pyrimidine041,0.100000). 1285p1_h_donor(pyrimidine041,0.100000). 1286p1_h_acceptor(pyrimidine041,0.100000). 1287p1_pi_donor(pyrimidine041,0.100000). 1288p1_pi_acceptor(pyrimidine041,0.100000). 1289p1_polarizable(pyrimidine041,0.100000). 1290p1_sigma(pyrimidine041,0.100000). 1291p2_polar(pyrimidine041,0.420000). 1292p2_size(pyrimidine041,0.580000). 1293p2_flex(pyrimidine041,0.500000). 1294p2_h_donor(pyrimidine041,0.100000). 1295p2_h_acceptor(pyrimidine041,0.900000). 1296p2_pi_donor(pyrimidine041,0.500000). 1297p2_pi_acceptor(pyrimidine041,0.100000). 1298p2_polarizable(pyrimidine041,0.500000). 1299p2_sigma(pyrimidine041,0.260000). 1300p3_polar(pyrimidine041,0.367000). 1301p3_size(pyrimidine041,0.100000). 1302p3_flex(pyrimidine041,0.100000). 1303p3_h_donor(pyrimidine041,0.100000). 1304p3_h_acceptor(pyrimidine041,0.100000). 1305p3_pi_donor(pyrimidine041,0.100000). 1306p3_pi_acceptor(pyrimidine041,0.100000). 1307p3_sigma(pyrimidine041,0.100000). 1308activity(pyrimidine041,0.561000). 1309p1_polar(pyrimidine042,0.300000). 1310p1_size(pyrimidine042,0.420000). 1311p1_flex(pyrimidine042,0.100000). 1312p1_h_donor(pyrimidine042,0.100000). 1313p1_h_acceptor(pyrimidine042,0.500000). 1314p1_pi_donor(pyrimidine042,0.500000). 1315p1_pi_acceptor(pyrimidine042,0.100000). 1316p1_polarizable(pyrimidine042,0.367000). 1317p1_sigma(pyrimidine042,0.260000). 1318p2_polar(pyrimidine042,0.420000). 1319p2_size(pyrimidine042,0.900000). 1320p2_flex(pyrimidine042,0.900000). 1321p2_h_donor(pyrimidine042,0.100000). 1322p2_h_acceptor(pyrimidine042,0.500000). 1323p2_pi_donor(pyrimidine042,0.500000). 1324p2_pi_acceptor(pyrimidine042,0.100000). 1325p2_polarizable(pyrimidine042,0.500000). 1326p2_sigma(pyrimidine042,0.260000). 1327p3_polar(pyrimidine042,0.633000). 1328p3_size(pyrimidine042,0.633000). 1329p3_flex(pyrimidine042,0.100000). 1330p3_h_donor(pyrimidine042,0.100000). 1331p3_h_acceptor(pyrimidine042,0.500000). 1332p3_pi_donor(pyrimidine042,0.500000). 1333p3_pi_acceptor(pyrimidine042,0.367000). 1334p3_sigma(pyrimidine042,0.367000). 1335activity(pyrimidine042,0.763000). 1336p1_polar(pyrimidine043,0.300000). 1337p1_size(pyrimidine043,0.900000). 1338p1_flex(pyrimidine043,0.700000). 1339p1_h_donor(pyrimidine043,0.100000). 1340p1_h_acceptor(pyrimidine043,0.500000). 1341p1_pi_donor(pyrimidine043,0.500000). 1342p1_pi_acceptor(pyrimidine043,0.100000). 1343p1_polarizable(pyrimidine043,0.367000). 1344p1_sigma(pyrimidine043,0.260000). 1345p2_polar(pyrimidine043,0.260000). 1346p2_size(pyrimidine043,0.100000). 1347p2_flex(pyrimidine043,0.100000). 1348p2_h_donor(pyrimidine043,0.100000). 1349p2_h_acceptor(pyrimidine043,0.100000). 1350p2_pi_donor(pyrimidine043,0.100000). 1351p2_pi_acceptor(pyrimidine043,0.100000). 1352p2_polarizable(pyrimidine043,0.100000). 1353p2_sigma(pyrimidine043,0.100000). 1354p3_polar(pyrimidine043,0.367000). 1355p3_size(pyrimidine043,0.100000). 1356p3_flex(pyrimidine043,0.100000). 1357p3_h_donor(pyrimidine043,0.100000). 1358p3_h_acceptor(pyrimidine043,0.100000). 1359p3_pi_donor(pyrimidine043,0.100000). 1360p3_pi_acceptor(pyrimidine043,0.100000). 1361p3_sigma(pyrimidine043,0.100000). 1362activity(pyrimidine043,0.624000). 1363p1_polar(pyrimidine044,0.100000). 1364p1_size(pyrimidine044,0.100000). 1365p1_flex(pyrimidine044,0.100000). 1366p1_h_donor(pyrimidine044,0.100000). 1367p1_h_acceptor(pyrimidine044,0.100000). 1368p1_pi_donor(pyrimidine044,0.100000). 1369p1_pi_acceptor(pyrimidine044,0.100000). 1370p1_polarizable(pyrimidine044,0.100000). 1371p1_sigma(pyrimidine044,0.100000). 1372p2_polar(pyrimidine044,0.900000). 1373p2_size(pyrimidine044,0.420000). 1374p2_flex(pyrimidine044,0.100000). 1375p2_h_donor(pyrimidine044,0.100000). 1376p2_h_acceptor(pyrimidine044,0.100000). 1377p2_pi_donor(pyrimidine044,0.100000). 1378p2_pi_acceptor(pyrimidine044,0.900000). 1379p2_polarizable(pyrimidine044,0.100000). 1380p2_sigma(pyrimidine044,0.580000). 1381p3_polar(pyrimidine044,0.367000). 1382p3_size(pyrimidine044,0.100000). 1383p3_flex(pyrimidine044,0.100000). 1384p3_h_donor(pyrimidine044,0.100000). 1385p3_h_acceptor(pyrimidine044,0.100000). 1386p3_pi_donor(pyrimidine044,0.100000). 1387p3_pi_acceptor(pyrimidine044,0.100000). 1388p3_sigma(pyrimidine044,0.100000). 1389activity(pyrimidine044,0.534000). 1390p1_polar(pyrimidine045,0.100000). 1391p1_size(pyrimidine045,0.100000). 1392p1_flex(pyrimidine045,0.100000). 1393p1_h_donor(pyrimidine045,0.100000). 1394p1_h_acceptor(pyrimidine045,0.100000). 1395p1_pi_donor(pyrimidine045,0.100000). 1396p1_pi_acceptor(pyrimidine045,0.100000). 1397p1_polarizable(pyrimidine045,0.100000). 1398p1_sigma(pyrimidine045,0.100000). 1399p2_polar(pyrimidine045,0.900000). 1400p2_size(pyrimidine045,0.260000). 1401p2_flex(pyrimidine045,0.100000). 1402p2_h_donor(pyrimidine045,0.100000). 1403p2_h_acceptor(pyrimidine045,0.500000). 1404p2_pi_donor(pyrimidine045,0.100000). 1405p2_pi_acceptor(pyrimidine045,0.100000). 1406p2_polarizable(pyrimidine045,0.100000). 1407p2_sigma(pyrimidine045,0.900000). 1408p3_polar(pyrimidine045,0.367000). 1409p3_size(pyrimidine045,0.100000). 1410p3_flex(pyrimidine045,0.100000). 1411p3_h_donor(pyrimidine045,0.100000). 1412p3_h_acceptor(pyrimidine045,0.100000). 1413p3_pi_donor(pyrimidine045,0.100000). 1414p3_pi_acceptor(pyrimidine045,0.100000). 1415p3_sigma(pyrimidine045,0.100000). 1416activity(pyrimidine045,0.554000). 1417p1_polar(pyrimidine046,0.100000). 1418p1_size(pyrimidine046,0.100000). 1419p1_flex(pyrimidine046,0.100000). 1420p1_h_donor(pyrimidine046,0.100000). 1421p1_h_acceptor(pyrimidine046,0.100000). 1422p1_pi_donor(pyrimidine046,0.100000). 1423p1_pi_acceptor(pyrimidine046,0.100000). 1424p1_polarizable(pyrimidine046,0.100000). 1425p1_sigma(pyrimidine046,0.100000). 1426p2_polar(pyrimidine046,0.420000). 1427p2_size(pyrimidine046,0.420000). 1428p2_flex(pyrimidine046,0.100000). 1429p2_h_donor(pyrimidine046,0.500000). 1430p2_h_acceptor(pyrimidine046,0.500000). 1431p2_pi_donor(pyrimidine046,0.500000). 1432p2_pi_acceptor(pyrimidine046,0.100000). 1433p2_polarizable(pyrimidine046,0.500000). 1434p2_sigma(pyrimidine046,0.260000). 1435p3_polar(pyrimidine046,0.367000). 1436p3_size(pyrimidine046,0.100000). 1437p3_flex(pyrimidine046,0.100000). 1438p3_h_donor(pyrimidine046,0.100000). 1439p3_h_acceptor(pyrimidine046,0.100000). 1440p3_pi_donor(pyrimidine046,0.100000). 1441p3_pi_acceptor(pyrimidine046,0.100000). 1442p3_sigma(pyrimidine046,0.100000). 1443activity(pyrimidine046,0.628000). 1444p1_polar(pyrimidine047,0.500000). 1445p1_size(pyrimidine047,0.260000). 1446p1_flex(pyrimidine047,0.100000). 1447p1_h_donor(pyrimidine047,0.100000). 1448p1_h_acceptor(pyrimidine047,0.100000). 1449p1_pi_donor(pyrimidine047,0.500000). 1450p1_pi_acceptor(pyrimidine047,0.100000). 1451p1_polarizable(pyrimidine047,0.633000). 1452p1_sigma(pyrimidine047,0.420000). 1453p2_polar(pyrimidine047,0.260000). 1454p2_size(pyrimidine047,0.100000). 1455p2_flex(pyrimidine047,0.100000). 1456p2_h_donor(pyrimidine047,0.100000). 1457p2_h_acceptor(pyrimidine047,0.100000). 1458p2_pi_donor(pyrimidine047,0.100000). 1459p2_pi_acceptor(pyrimidine047,0.100000). 1460p2_polarizable(pyrimidine047,0.100000). 1461p2_sigma(pyrimidine047,0.100000). 1462p3_polar(pyrimidine047,0.367000). 1463p3_size(pyrimidine047,0.100000). 1464p3_flex(pyrimidine047,0.100000). 1465p3_h_donor(pyrimidine047,0.100000). 1466p3_h_acceptor(pyrimidine047,0.100000). 1467p3_pi_donor(pyrimidine047,0.100000). 1468p3_pi_acceptor(pyrimidine047,0.100000). 1469p3_sigma(pyrimidine047,0.100000). 1470activity(pyrimidine047,0.638000). 1471p1_polar(pyrimidine048,0.300000). 1472p1_size(pyrimidine048,0.420000). 1473p1_flex(pyrimidine048,0.100000). 1474p1_h_donor(pyrimidine048,0.100000). 1475p1_h_acceptor(pyrimidine048,0.500000). 1476p1_pi_donor(pyrimidine048,0.500000). 1477p1_pi_acceptor(pyrimidine048,0.100000). 1478p1_polarizable(pyrimidine048,0.367000). 1479p1_sigma(pyrimidine048,0.260000). 1480p2_polar(pyrimidine048,0.420000). 1481p2_size(pyrimidine048,0.580000). 1482p2_flex(pyrimidine048,0.500000). 1483p2_h_donor(pyrimidine048,0.100000). 1484p2_h_acceptor(pyrimidine048,0.900000). 1485p2_pi_donor(pyrimidine048,0.500000). 1486p2_pi_acceptor(pyrimidine048,0.100000). 1487p2_polarizable(pyrimidine048,0.500000). 1488p2_sigma(pyrimidine048,0.260000). 1489p3_polar(pyrimidine048,0.633000). 1490p3_size(pyrimidine048,0.633000). 1491p3_flex(pyrimidine048,0.100000). 1492p3_h_donor(pyrimidine048,0.100000). 1493p3_h_acceptor(pyrimidine048,0.500000). 1494p3_pi_donor(pyrimidine048,0.500000). 1495p3_pi_acceptor(pyrimidine048,0.367000). 1496p3_sigma(pyrimidine048,0.367000). 1497activity(pyrimidine048,0.829000). 1498p1_polar(pyrimidine049,0.300000). 1499p1_size(pyrimidine049,0.580000). 1500p1_flex(pyrimidine049,0.200000). 1501p1_h_donor(pyrimidine049,0.500000). 1502p1_h_acceptor(pyrimidine049,0.900000). 1503p1_pi_donor(pyrimidine049,0.500000). 1504p1_pi_acceptor(pyrimidine049,0.100000). 1505p1_polarizable(pyrimidine049,0.100000). 1506p1_sigma(pyrimidine049,0.260000). 1507p2_polar(pyrimidine049,0.260000). 1508p2_size(pyrimidine049,0.100000). 1509p2_flex(pyrimidine049,0.100000). 1510p2_h_donor(pyrimidine049,0.100000). 1511p2_h_acceptor(pyrimidine049,0.100000). 1512p2_pi_donor(pyrimidine049,0.100000). 1513p2_pi_acceptor(pyrimidine049,0.100000). 1514p2_polarizable(pyrimidine049,0.100000). 1515p2_sigma(pyrimidine049,0.100000). 1516p3_polar(pyrimidine049,0.367000). 1517p3_size(pyrimidine049,0.100000). 1518p3_flex(pyrimidine049,0.100000). 1519p3_h_donor(pyrimidine049,0.100000). 1520p3_h_acceptor(pyrimidine049,0.100000). 1521p3_pi_donor(pyrimidine049,0.100000). 1522p3_pi_acceptor(pyrimidine049,0.100000). 1523p3_sigma(pyrimidine049,0.100000). 1524activity(pyrimidine049,0.584000). 1525p1_polar(pyrimidine050,0.100000). 1526p1_size(pyrimidine050,0.260000). 1527p1_flex(pyrimidine050,0.100000). 1528p1_h_donor(pyrimidine050,0.100000). 1529p1_h_acceptor(pyrimidine050,0.100000). 1530p1_pi_donor(pyrimidine050,0.100000). 1531p1_pi_acceptor(pyrimidine050,0.100000). 1532p1_polarizable(pyrimidine050,0.367000). 1533p1_sigma(pyrimidine050,0.100000). 1534p2_polar(pyrimidine050,0.260000). 1535p2_size(pyrimidine050,0.100000). 1536p2_flex(pyrimidine050,0.100000). 1537p2_h_donor(pyrimidine050,0.100000). 1538p2_h_acceptor(pyrimidine050,0.100000). 1539p2_pi_donor(pyrimidine050,0.100000). 1540p2_pi_acceptor(pyrimidine050,0.100000). 1541p2_polarizable(pyrimidine050,0.100000). 1542p2_sigma(pyrimidine050,0.100000). 1543p3_polar(pyrimidine050,0.367000). 1544p3_size(pyrimidine050,0.100000). 1545p3_flex(pyrimidine050,0.100000). 1546p3_h_donor(pyrimidine050,0.100000). 1547p3_h_acceptor(pyrimidine050,0.100000). 1548p3_pi_donor(pyrimidine050,0.100000). 1549p3_pi_acceptor(pyrimidine050,0.100000). 1550p3_sigma(pyrimidine050,0.100000). 1551activity(pyrimidine050,0.602000). 1552p1_polar(pyrimidine051,0.100000). 1553p1_size(pyrimidine051,0.100000). 1554p1_flex(pyrimidine051,0.100000). 1555p1_h_donor(pyrimidine051,0.100000). 1556p1_h_acceptor(pyrimidine051,0.100000). 1557p1_pi_donor(pyrimidine051,0.100000). 1558p1_pi_acceptor(pyrimidine051,0.100000). 1559p1_polarizable(pyrimidine051,0.100000). 1560p1_sigma(pyrimidine051,0.100000). 1561p2_polar(pyrimidine051,0.420000). 1562p2_size(pyrimidine051,0.580000). 1563p2_flex(pyrimidine051,0.500000). 1564p2_h_donor(pyrimidine051,0.100000). 1565p2_h_acceptor(pyrimidine051,0.500000). 1566p2_pi_donor(pyrimidine051,0.500000). 1567p2_pi_acceptor(pyrimidine051,0.100000). 1568p2_polarizable(pyrimidine051,0.500000). 1569p2_sigma(pyrimidine051,0.260000). 1570p3_polar(pyrimidine051,0.367000). 1571p3_size(pyrimidine051,0.100000). 1572p3_flex(pyrimidine051,0.100000). 1573p3_h_donor(pyrimidine051,0.100000). 1574p3_h_acceptor(pyrimidine051,0.100000). 1575p3_pi_donor(pyrimidine051,0.100000). 1576p3_pi_acceptor(pyrimidine051,0.100000). 1577p3_sigma(pyrimidine051,0.100000). 1578activity(pyrimidine051,0.628000). 1579p1_polar(pyrimidine052,0.500000). 1580p1_size(pyrimidine052,0.260000). 1581p1_flex(pyrimidine052,0.100000). 1582p1_h_donor(pyrimidine052,0.100000). 1583p1_h_acceptor(pyrimidine052,0.100000). 1584p1_pi_donor(pyrimidine052,0.500000). 1585p1_pi_acceptor(pyrimidine052,0.100000). 1586p1_polarizable(pyrimidine052,0.367000). 1587p1_sigma(pyrimidine052,0.580000). 1588p2_polar(pyrimidine052,0.260000). 1589p2_size(pyrimidine052,0.100000). 1590p2_flex(pyrimidine052,0.100000). 1591p2_h_donor(pyrimidine052,0.100000). 1592p2_h_acceptor(pyrimidine052,0.100000). 1593p2_pi_donor(pyrimidine052,0.100000). 1594p2_pi_acceptor(pyrimidine052,0.100000). 1595p2_polarizable(pyrimidine052,0.100000). 1596p2_sigma(pyrimidine052,0.100000). 1597p3_polar(pyrimidine052,0.367000). 1598p3_size(pyrimidine052,0.100000). 1599p3_flex(pyrimidine052,0.100000). 1600p3_h_donor(pyrimidine052,0.100000). 1601p3_h_acceptor(pyrimidine052,0.100000). 1602p3_pi_donor(pyrimidine052,0.100000). 1603p3_pi_acceptor(pyrimidine052,0.100000). 1604p3_sigma(pyrimidine052,0.100000). 1605activity(pyrimidine052,0.595000). 1606p1_polar(pyrimidine053,0.500000). 1607p1_size(pyrimidine053,0.260000). 1608p1_flex(pyrimidine053,0.100000). 1609p1_h_donor(pyrimidine053,0.100000). 1610p1_h_acceptor(pyrimidine053,0.100000). 1611p1_pi_donor(pyrimidine053,0.100000). 1612p1_pi_acceptor(pyrimidine053,0.500000). 1613p1_polarizable(pyrimidine053,0.100000). 1614p1_sigma(pyrimidine053,0.580000). 1615p2_polar(pyrimidine053,0.260000). 1616p2_size(pyrimidine053,0.100000). 1617p2_flex(pyrimidine053,0.100000). 1618p2_h_donor(pyrimidine053,0.100000). 1619p2_h_acceptor(pyrimidine053,0.100000). 1620p2_pi_donor(pyrimidine053,0.100000). 1621p2_pi_acceptor(pyrimidine053,0.100000). 1622p2_polarizable(pyrimidine053,0.100000). 1623p2_sigma(pyrimidine053,0.100000). 1624p3_polar(pyrimidine053,0.367000). 1625p3_size(pyrimidine053,0.100000). 1626p3_flex(pyrimidine053,0.100000). 1627p3_h_donor(pyrimidine053,0.100000). 1628p3_h_acceptor(pyrimidine053,0.100000). 1629p3_pi_donor(pyrimidine053,0.100000). 1630p3_pi_acceptor(pyrimidine053,0.100000). 1631p3_sigma(pyrimidine053,0.100000). 1632activity(pyrimidine053,0.646000). 1633p1_polar(pyrimidine054,0.300000). 1634p1_size(pyrimidine054,0.420000). 1635p1_flex(pyrimidine054,0.300000). 1636p1_h_donor(pyrimidine054,0.900000). 1637p1_h_acceptor(pyrimidine054,0.900000). 1638p1_pi_donor(pyrimidine054,0.100000). 1639p1_pi_acceptor(pyrimidine054,0.100000). 1640p1_polarizable(pyrimidine054,0.367000). 1641p1_sigma(pyrimidine054,0.100000). 1642p2_polar(pyrimidine054,0.260000). 1643p2_size(pyrimidine054,0.100000). 1644p2_flex(pyrimidine054,0.100000). 1645p2_h_donor(pyrimidine054,0.100000). 1646p2_h_acceptor(pyrimidine054,0.100000). 1647p2_pi_donor(pyrimidine054,0.100000). 1648p2_pi_acceptor(pyrimidine054,0.100000). 1649p2_polarizable(pyrimidine054,0.100000). 1650p2_sigma(pyrimidine054,0.100000). 1651p3_polar(pyrimidine054,0.367000). 1652p3_size(pyrimidine054,0.100000). 1653p3_flex(pyrimidine054,0.100000). 1654p3_h_donor(pyrimidine054,0.100000). 1655p3_h_acceptor(pyrimidine054,0.100000). 1656p3_pi_donor(pyrimidine054,0.100000). 1657p3_pi_acceptor(pyrimidine054,0.100000). 1658p3_sigma(pyrimidine054,0.100000). 1659activity(pyrimidine054,0.545000). 1660p1_polar(pyrimidine055,0.300000). 1661p1_size(pyrimidine055,0.260000). 1662p1_flex(pyrimidine055,0.100000). 1663p1_h_donor(pyrimidine055,0.100000). 1664p1_h_acceptor(pyrimidine055,0.100000). 1665p1_pi_donor(pyrimidine055,0.500000). 1666p1_pi_acceptor(pyrimidine055,0.100000). 1667p1_polarizable(pyrimidine055,0.900000). 1668p1_sigma(pyrimidine055,0.260000). 1669p2_polar(pyrimidine055,0.260000). 1670p2_size(pyrimidine055,0.100000). 1671p2_flex(pyrimidine055,0.100000). 1672p2_h_donor(pyrimidine055,0.100000). 1673p2_h_acceptor(pyrimidine055,0.100000). 1674p2_pi_donor(pyrimidine055,0.100000). 1675p2_pi_acceptor(pyrimidine055,0.100000). 1676p2_polarizable(pyrimidine055,0.100000). 1677p2_sigma(pyrimidine055,0.100000). 1678p3_polar(pyrimidine055,0.367000). 1679p3_size(pyrimidine055,0.100000). 1680p3_flex(pyrimidine055,0.100000). 1681p3_h_donor(pyrimidine055,0.100000). 1682p3_h_acceptor(pyrimidine055,0.100000). 1683p3_pi_donor(pyrimidine055,0.100000). 1684p3_pi_acceptor(pyrimidine055,0.100000). 1685p3_sigma(pyrimidine055,0.100000). 1686activity(pyrimidine055,0.675000). 1687p1_polar(pyrimidine056,0.100000). 1688p1_size(pyrimidine056,0.100000). 1689p1_flex(pyrimidine056,0.100000). 1690p1_h_donor(pyrimidine056,0.100000). 1691p1_h_acceptor(pyrimidine056,0.100000). 1692p1_pi_donor(pyrimidine056,0.100000). 1693p1_pi_acceptor(pyrimidine056,0.100000). 1694p1_polarizable(pyrimidine056,0.100000). 1695p1_sigma(pyrimidine056,0.100000). 1696p2_polar(pyrimidine056,0.580000). 1697p2_size(pyrimidine056,0.260000). 1698p2_flex(pyrimidine056,0.100000). 1699p2_h_donor(pyrimidine056,0.900000). 1700p2_h_acceptor(pyrimidine056,0.900000). 1701p2_pi_donor(pyrimidine056,0.900000). 1702p2_pi_acceptor(pyrimidine056,0.100000). 1703p2_polarizable(pyrimidine056,0.500000). 1704p2_sigma(pyrimidine056,0.420000). 1705p3_polar(pyrimidine056,0.367000). 1706p3_size(pyrimidine056,0.100000). 1707p3_flex(pyrimidine056,0.100000). 1708p3_h_donor(pyrimidine056,0.100000). 1709p3_h_acceptor(pyrimidine056,0.100000). 1710p3_pi_donor(pyrimidine056,0.100000). 1711p3_pi_acceptor(pyrimidine056,0.100000). 1712p3_sigma(pyrimidine056,0.100000). 1713activity(pyrimidine056,0.568000). 1714p1_polar(pyrimidine057,0.100000). 1715p1_size(pyrimidine057,0.100000). 1716p1_flex(pyrimidine057,0.100000). 1717p1_h_donor(pyrimidine057,0.100000). 1718p1_h_acceptor(pyrimidine057,0.100000). 1719p1_pi_donor(pyrimidine057,0.100000). 1720p1_pi_acceptor(pyrimidine057,0.100000). 1721p1_polarizable(pyrimidine057,0.100000). 1722p1_sigma(pyrimidine057,0.100000). 1723p2_polar(pyrimidine057,0.740000). 1724p2_size(pyrimidine057,0.580000). 1725p2_flex(pyrimidine057,0.200000). 1726p2_h_donor(pyrimidine057,0.100000). 1727p2_h_acceptor(pyrimidine057,0.100000). 1728p2_pi_donor(pyrimidine057,0.100000). 1729p2_pi_acceptor(pyrimidine057,0.500000). 1730p2_polarizable(pyrimidine057,0.900000). 1731p2_sigma(pyrimidine057,0.420000). 1732p3_polar(pyrimidine057,0.367000). 1733p3_size(pyrimidine057,0.100000). 1734p3_flex(pyrimidine057,0.100000). 1735p3_h_donor(pyrimidine057,0.100000). 1736p3_h_acceptor(pyrimidine057,0.100000). 1737p3_pi_donor(pyrimidine057,0.100000). 1738p3_pi_acceptor(pyrimidine057,0.100000). 1739p3_sigma(pyrimidine057,0.100000). 1740activity(pyrimidine057,0.589000). 1741p1_polar(pyrimidine058,0.500000). 1742p1_size(pyrimidine058,0.260000). 1743p1_flex(pyrimidine058,0.100000). 1744p1_h_donor(pyrimidine058,0.900000). 1745p1_h_acceptor(pyrimidine058,0.900000). 1746p1_pi_donor(pyrimidine058,0.900000). 1747p1_pi_acceptor(pyrimidine058,0.100000). 1748p1_polarizable(pyrimidine058,0.367000). 1749p1_sigma(pyrimidine058,0.420000). 1750p2_polar(pyrimidine058,0.420000). 1751p2_size(pyrimidine058,0.420000). 1752p2_flex(pyrimidine058,0.100000). 1753p2_h_donor(pyrimidine058,0.100000). 1754p2_h_acceptor(pyrimidine058,0.500000). 1755p2_pi_donor(pyrimidine058,0.500000). 1756p2_pi_acceptor(pyrimidine058,0.100000). 1757p2_polarizable(pyrimidine058,0.500000). 1758p2_sigma(pyrimidine058,0.260000). 1759p3_polar(pyrimidine058,0.367000). 1760p3_size(pyrimidine058,0.100000). 1761p3_flex(pyrimidine058,0.100000). 1762p3_h_donor(pyrimidine058,0.100000). 1763p3_h_acceptor(pyrimidine058,0.100000). 1764p3_pi_donor(pyrimidine058,0.100000). 1765p3_pi_acceptor(pyrimidine058,0.100000). 1766p3_sigma(pyrimidine058,0.100000). 1767activity(pyrimidine058,0.621000). 1768p1_polar(pyrimidine059,0.100000). 1769p1_size(pyrimidine059,0.100000). 1770p1_flex(pyrimidine059,0.100000). 1771p1_h_donor(pyrimidine059,0.100000). 1772p1_h_acceptor(pyrimidine059,0.100000). 1773p1_pi_donor(pyrimidine059,0.100000). 1774p1_pi_acceptor(pyrimidine059,0.100000). 1775p1_polarizable(pyrimidine059,0.100000). 1776p1_sigma(pyrimidine059,0.100000). 1777p2_polar(pyrimidine059,0.420000). 1778p2_size(pyrimidine059,0.740000). 1779p2_flex(pyrimidine059,0.300000). 1780p2_h_donor(pyrimidine059,0.100000). 1781p2_h_acceptor(pyrimidine059,0.500000). 1782p2_pi_donor(pyrimidine059,0.500000). 1783p2_pi_acceptor(pyrimidine059,0.100000). 1784p2_polarizable(pyrimidine059,0.500000). 1785p2_sigma(pyrimidine059,0.260000). 1786p3_polar(pyrimidine059,0.367000). 1787p3_size(pyrimidine059,0.100000). 1788p3_flex(pyrimidine059,0.100000). 1789p3_h_donor(pyrimidine059,0.100000). 1790p3_h_acceptor(pyrimidine059,0.100000). 1791p3_pi_donor(pyrimidine059,0.100000). 1792p3_pi_acceptor(pyrimidine059,0.100000). 1793p3_sigma(pyrimidine059,0.100000). 1794activity(pyrimidine059,0.628000). 1795p1_polar(pyrimidine060,0.100000). 1796p1_size(pyrimidine060,0.100000). 1797p1_flex(pyrimidine060,0.100000). 1798p1_h_donor(pyrimidine060,0.100000). 1799p1_h_acceptor(pyrimidine060,0.100000). 1800p1_pi_donor(pyrimidine060,0.100000). 1801p1_pi_acceptor(pyrimidine060,0.100000). 1802p1_polarizable(pyrimidine060,0.100000). 1803p1_sigma(pyrimidine060,0.100000). 1804p2_polar(pyrimidine060,0.100000). 1805p2_size(pyrimidine060,0.100000). 1806p2_flex(pyrimidine060,0.100000). 1807p2_h_donor(pyrimidine060,0.100000). 1808p2_h_acceptor(pyrimidine060,0.100000). 1809p2_pi_donor(pyrimidine060,0.100000). 1810p2_pi_acceptor(pyrimidine060,0.100000). 1811p2_polarizable(pyrimidine060,0.100000). 1812p2_sigma(pyrimidine060,0.100000). 1813p3_polar(pyrimidine060,0.367000). 1814p3_size(pyrimidine060,0.100000). 1815p3_flex(pyrimidine060,0.100000). 1816p3_h_donor(pyrimidine060,0.100000). 1817p3_h_acceptor(pyrimidine060,0.100000). 1818p3_pi_donor(pyrimidine060,0.100000). 1819p3_pi_acceptor(pyrimidine060,0.100000). 1820p3_sigma(pyrimidine060,0.100000). 1821activity(pyrimidine060,0.634000). 1822p1_polar(pyrimidine061,0.100000). 1823p1_size(pyrimidine061,0.260000). 1824p1_flex(pyrimidine061,0.100000). 1825p1_h_donor(pyrimidine061,0.100000). 1826p1_h_acceptor(pyrimidine061,0.100000). 1827p1_pi_donor(pyrimidine061,0.100000). 1828p1_pi_acceptor(pyrimidine061,0.100000). 1829p1_polarizable(pyrimidine061,0.367000). 1830p1_sigma(pyrimidine061,0.100000). 1831p2_polar(pyrimidine061,0.260000). 1832p2_size(pyrimidine061,0.100000). 1833p2_flex(pyrimidine061,0.100000). 1834p2_h_donor(pyrimidine061,0.100000). 1835p2_h_acceptor(pyrimidine061,0.100000). 1836p2_pi_donor(pyrimidine061,0.100000). 1837p2_pi_acceptor(pyrimidine061,0.100000). 1838p2_polarizable(pyrimidine061,0.100000). 1839p2_sigma(pyrimidine061,0.100000). 1840p3_polar(pyrimidine061,0.367000). 1841p3_size(pyrimidine061,0.367000). 1842p3_flex(pyrimidine061,0.100000). 1843p3_h_donor(pyrimidine061,0.100000). 1844p3_h_acceptor(pyrimidine061,0.100000). 1845p3_pi_donor(pyrimidine061,0.100000). 1846p3_pi_acceptor(pyrimidine061,0.367000). 1847p3_sigma(pyrimidine061,0.100000). 1848activity(pyrimidine061,0.649000). 1849p1_polar(pyrimidine062,0.300000). 1850p1_size(pyrimidine062,0.580000). 1851p1_flex(pyrimidine062,0.400000). 1852p1_h_donor(pyrimidine062,0.100000). 1853p1_h_acceptor(pyrimidine062,0.900000). 1854p1_pi_donor(pyrimidine062,0.500000). 1855p1_pi_acceptor(pyrimidine062,0.100000). 1856p1_polarizable(pyrimidine062,0.367000). 1857p1_sigma(pyrimidine062,0.260000). 1858p2_polar(pyrimidine062,0.260000). 1859p2_size(pyrimidine062,0.100000). 1860p2_flex(pyrimidine062,0.100000). 1861p2_h_donor(pyrimidine062,0.100000). 1862p2_h_acceptor(pyrimidine062,0.100000). 1863p2_pi_donor(pyrimidine062,0.100000). 1864p2_pi_acceptor(pyrimidine062,0.100000). 1865p2_polarizable(pyrimidine062,0.100000). 1866p2_sigma(pyrimidine062,0.100000). 1867p3_polar(pyrimidine062,0.633000). 1868p3_size(pyrimidine062,0.900000). 1869p3_flex(pyrimidine062,0.900000). 1870p3_h_donor(pyrimidine062,0.100000). 1871p3_h_acceptor(pyrimidine062,0.900000). 1872p3_pi_donor(pyrimidine062,0.500000). 1873p3_pi_acceptor(pyrimidine062,0.367000). 1874p3_sigma(pyrimidine062,0.367000). 1875activity(pyrimidine062,0.661000). 1876p1_polar(pyrimidine063,0.300000). 1877p1_size(pyrimidine063,0.900000). 1878p1_flex(pyrimidine063,0.900000). 1879p1_h_donor(pyrimidine063,0.100000). 1880p1_h_acceptor(pyrimidine063,0.500000). 1881p1_pi_donor(pyrimidine063,0.500000). 1882p1_pi_acceptor(pyrimidine063,0.100000). 1883p1_polarizable(pyrimidine063,0.367000). 1884p1_sigma(pyrimidine063,0.260000). 1885p2_polar(pyrimidine063,0.420000). 1886p2_size(pyrimidine063,0.420000). 1887p2_flex(pyrimidine063,0.100000). 1888p2_h_donor(pyrimidine063,0.100000). 1889p2_h_acceptor(pyrimidine063,0.500000). 1890p2_pi_donor(pyrimidine063,0.500000). 1891p2_pi_acceptor(pyrimidine063,0.100000). 1892p2_polarizable(pyrimidine063,0.500000). 1893p2_sigma(pyrimidine063,0.260000). 1894p3_polar(pyrimidine063,0.367000). 1895p3_size(pyrimidine063,0.100000). 1896p3_flex(pyrimidine063,0.100000). 1897p3_h_donor(pyrimidine063,0.100000). 1898p3_h_acceptor(pyrimidine063,0.100000). 1899p3_pi_donor(pyrimidine063,0.100000). 1900p3_pi_acceptor(pyrimidine063,0.100000). 1901p3_sigma(pyrimidine063,0.100000). 1902activity(pyrimidine063,0.665000). 1903p1_polar(pyrimidine064,0.300000). 1904p1_size(pyrimidine064,0.420000). 1905p1_flex(pyrimidine064,0.100000). 1906p1_h_donor(pyrimidine064,0.100000). 1907p1_h_acceptor(pyrimidine064,0.500000). 1908p1_pi_donor(pyrimidine064,0.500000). 1909p1_pi_acceptor(pyrimidine064,0.100000). 1910p1_polarizable(pyrimidine064,0.367000). 1911p1_sigma(pyrimidine064,0.260000). 1912p2_polar(pyrimidine064,0.420000). 1913p2_size(pyrimidine064,0.900000). 1914p2_flex(pyrimidine064,0.900000). 1915p2_h_donor(pyrimidine064,0.100000). 1916p2_h_acceptor(pyrimidine064,0.500000). 1917p2_pi_donor(pyrimidine064,0.500000). 1918p2_pi_acceptor(pyrimidine064,0.100000). 1919p2_polarizable(pyrimidine064,0.500000). 1920p2_sigma(pyrimidine064,0.260000). 1921p3_polar(pyrimidine064,0.633000). 1922p3_size(pyrimidine064,0.633000). 1923p3_flex(pyrimidine064,0.100000). 1924p3_h_donor(pyrimidine064,0.100000). 1925p3_h_acceptor(pyrimidine064,0.500000). 1926p3_pi_donor(pyrimidine064,0.500000). 1927p3_pi_acceptor(pyrimidine064,0.367000). 1928p3_sigma(pyrimidine064,0.367000). 1929activity(pyrimidine064,0.671000). 1930p1_polar(pyrimidine065,0.300000). 1931p1_size(pyrimidine065,0.740000). 1932p1_flex(pyrimidine065,0.400000). 1933p1_h_donor(pyrimidine065,0.100000). 1934p1_h_acceptor(pyrimidine065,0.500000). 1935p1_pi_donor(pyrimidine065,0.500000). 1936p1_pi_acceptor(pyrimidine065,0.100000). 1937p1_polarizable(pyrimidine065,0.367000). 1938p1_sigma(pyrimidine065,0.260000). 1939p2_polar(pyrimidine065,0.260000). 1940p2_size(pyrimidine065,0.100000). 1941p2_flex(pyrimidine065,0.100000). 1942p2_h_donor(pyrimidine065,0.100000). 1943p2_h_acceptor(pyrimidine065,0.100000). 1944p2_pi_donor(pyrimidine065,0.100000). 1945p2_pi_acceptor(pyrimidine065,0.100000). 1946p2_polarizable(pyrimidine065,0.100000). 1947p2_sigma(pyrimidine065,0.100000). 1948p3_polar(pyrimidine065,0.100000). 1949p3_size(pyrimidine065,0.100000). 1950p3_flex(pyrimidine065,0.100000). 1951p3_h_donor(pyrimidine065,0.100000). 1952p3_h_acceptor(pyrimidine065,0.100000). 1953p3_pi_donor(pyrimidine065,0.100000). 1954p3_pi_acceptor(pyrimidine065,0.100000). 1955p3_sigma(pyrimidine065,0.100000). 1956activity(pyrimidine065,0.700000). 1957p1_polar(pyrimidine066,0.300000). 1958p1_size(pyrimidine066,0.420000). 1959p1_flex(pyrimidine066,0.100000). 1960p1_h_donor(pyrimidine066,0.100000). 1961p1_h_acceptor(pyrimidine066,0.500000). 1962p1_pi_donor(pyrimidine066,0.500000). 1963p1_pi_acceptor(pyrimidine066,0.100000). 1964p1_polarizable(pyrimidine066,0.367000). 1965p1_sigma(pyrimidine066,0.260000). 1966p2_polar(pyrimidine066,0.420000). 1967p2_size(pyrimidine066,0.740000). 1968p2_flex(pyrimidine066,0.300000). 1969p2_h_donor(pyrimidine066,0.100000). 1970p2_h_acceptor(pyrimidine066,0.500000). 1971p2_pi_donor(pyrimidine066,0.500000). 1972p2_pi_acceptor(pyrimidine066,0.100000). 1973p2_polarizable(pyrimidine066,0.500000). 1974p2_sigma(pyrimidine066,0.260000). 1975p3_polar(pyrimidine066,0.367000). 1976p3_size(pyrimidine066,0.100000). 1977p3_flex(pyrimidine066,0.100000). 1978p3_h_donor(pyrimidine066,0.100000). 1979p3_h_acceptor(pyrimidine066,0.100000). 1980p3_pi_donor(pyrimidine066,0.100000). 1981p3_pi_acceptor(pyrimidine066,0.100000). 1982p3_sigma(pyrimidine066,0.100000). 1983activity(pyrimidine066,0.716000). 1984p1_polar(pyrimidine067,0.300000). 1985p1_size(pyrimidine067,0.420000). 1986p1_flex(pyrimidine067,0.100000). 1987p1_h_donor(pyrimidine067,0.100000). 1988p1_h_acceptor(pyrimidine067,0.500000). 1989p1_pi_donor(pyrimidine067,0.500000). 1990p1_pi_acceptor(pyrimidine067,0.100000). 1991p1_polarizable(pyrimidine067,0.367000). 1992p1_sigma(pyrimidine067,0.260000). 1993p2_polar(pyrimidine067,0.580000). 1994p2_size(pyrimidine067,0.260000). 1995p2_flex(pyrimidine067,0.100000). 1996p2_h_donor(pyrimidine067,0.900000). 1997p2_h_acceptor(pyrimidine067,0.900000). 1998p2_pi_donor(pyrimidine067,0.900000). 1999p2_pi_acceptor(pyrimidine067,0.100000). 2000p2_polarizable(pyrimidine067,0.500000). 2001p2_sigma(pyrimidine067,0.420000). 2002p3_polar(pyrimidine067,0.367000). 2003p3_size(pyrimidine067,0.100000). 2004p3_flex(pyrimidine067,0.100000). 2005p3_h_donor(pyrimidine067,0.100000). 2006p3_h_acceptor(pyrimidine067,0.100000). 2007p3_pi_donor(pyrimidine067,0.100000). 2008p3_pi_acceptor(pyrimidine067,0.100000). 2009p3_sigma(pyrimidine067,0.100000). 2010activity(pyrimidine067,0.717000). 2011p1_polar(pyrimidine068,0.300000). 2012p1_size(pyrimidine068,0.740000). 2013p1_flex(pyrimidine068,0.300000). 2014p1_h_donor(pyrimidine068,0.100000). 2015p1_h_acceptor(pyrimidine068,0.500000). 2016p1_pi_donor(pyrimidine068,0.500000). 2017p1_pi_acceptor(pyrimidine068,0.100000). 2018p1_polarizable(pyrimidine068,0.367000). 2019p1_sigma(pyrimidine068,0.260000). 2020p2_polar(pyrimidine068,0.420000). 2021p2_size(pyrimidine068,0.420000). 2022p2_flex(pyrimidine068,0.100000). 2023p2_h_donor(pyrimidine068,0.100000). 2024p2_h_acceptor(pyrimidine068,0.500000). 2025p2_pi_donor(pyrimidine068,0.500000). 2026p2_pi_acceptor(pyrimidine068,0.100000). 2027p2_polarizable(pyrimidine068,0.500000). 2028p2_sigma(pyrimidine068,0.260000). 2029p3_polar(pyrimidine068,0.367000). 2030p3_size(pyrimidine068,0.100000). 2031p3_flex(pyrimidine068,0.100000). 2032p3_h_donor(pyrimidine068,0.100000). 2033p3_h_acceptor(pyrimidine068,0.100000). 2034p3_pi_donor(pyrimidine068,0.100000). 2035p3_pi_acceptor(pyrimidine068,0.100000). 2036p3_sigma(pyrimidine068,0.100000). 2037activity(pyrimidine068,0.734000). 2038p1_polar(pyrimidine069,0.300000). 2039p1_size(pyrimidine069,0.420000). 2040p1_flex(pyrimidine069,0.100000). 2041p1_h_donor(pyrimidine069,0.100000). 2042p1_h_acceptor(pyrimidine069,0.500000). 2043p1_pi_donor(pyrimidine069,0.500000). 2044p1_pi_acceptor(pyrimidine069,0.100000). 2045p1_polarizable(pyrimidine069,0.367000). 2046p1_sigma(pyrimidine069,0.260000). 2047p2_polar(pyrimidine069,0.260000). 2048p2_size(pyrimidine069,0.420000). 2049p2_flex(pyrimidine069,0.100000). 2050p2_h_donor(pyrimidine069,0.100000). 2051p2_h_acceptor(pyrimidine069,0.500000). 2052p2_pi_donor(pyrimidine069,0.900000). 2053p2_pi_acceptor(pyrimidine069,0.100000). 2054p2_polarizable(pyrimidine069,0.500000). 2055p2_sigma(pyrimidine069,0.260000). 2056p3_polar(pyrimidine069,0.633000). 2057p3_size(pyrimidine069,0.633000). 2058p3_flex(pyrimidine069,0.100000). 2059p3_h_donor(pyrimidine069,0.100000). 2060p3_h_acceptor(pyrimidine069,0.500000). 2061p3_pi_donor(pyrimidine069,0.500000). 2062p3_pi_acceptor(pyrimidine069,0.367000). 2063p3_sigma(pyrimidine069,0.367000). 2064activity(pyrimidine069,0.741000). 2065p1_polar(pyrimidine070,0.300000). 2066p1_size(pyrimidine070,0.420000). 2067p1_flex(pyrimidine070,0.100000). 2068p1_h_donor(pyrimidine070,0.100000). 2069p1_h_acceptor(pyrimidine070,0.500000). 2070p1_pi_donor(pyrimidine070,0.500000). 2071p1_pi_acceptor(pyrimidine070,0.100000). 2072p1_polarizable(pyrimidine070,0.367000). 2073p1_sigma(pyrimidine070,0.260000). 2074p2_polar(pyrimidine070,0.420000). 2075p2_size(pyrimidine070,0.580000). 2076p2_flex(pyrimidine070,0.500000). 2077p2_h_donor(pyrimidine070,0.100000). 2078p2_h_acceptor(pyrimidine070,0.900000). 2079p2_pi_donor(pyrimidine070,0.500000). 2080p2_pi_acceptor(pyrimidine070,0.100000). 2081p2_polarizable(pyrimidine070,0.500000). 2082p2_sigma(pyrimidine070,0.260000). 2083p3_polar(pyrimidine070,0.367000). 2084p3_size(pyrimidine070,0.100000). 2085p3_flex(pyrimidine070,0.100000). 2086p3_h_donor(pyrimidine070,0.100000). 2087p3_h_acceptor(pyrimidine070,0.100000). 2088p3_pi_donor(pyrimidine070,0.100000). 2089p3_pi_acceptor(pyrimidine070,0.100000). 2090p3_sigma(pyrimidine070,0.100000). 2091activity(pyrimidine070,0.749000). 2092p1_polar(pyrimidine071,0.700000). 2093p1_size(pyrimidine071,0.580000). 2094p1_flex(pyrimidine071,0.200000). 2095p1_h_donor(pyrimidine071,0.100000). 2096p1_h_acceptor(pyrimidine071,0.100000). 2097p1_pi_donor(pyrimidine071,0.100000). 2098p1_pi_acceptor(pyrimidine071,0.500000). 2099p1_polarizable(pyrimidine071,0.633000). 2100p1_sigma(pyrimidine071,0.420000). 2101p2_polar(pyrimidine071,0.420000). 2102p2_size(pyrimidine071,0.420000). 2103p2_flex(pyrimidine071,0.100000). 2104p2_h_donor(pyrimidine071,0.100000). 2105p2_h_acceptor(pyrimidine071,0.500000). 2106p2_pi_donor(pyrimidine071,0.500000). 2107p2_pi_acceptor(pyrimidine071,0.100000). 2108p2_polarizable(pyrimidine071,0.500000). 2109p2_sigma(pyrimidine071,0.260000). 2110p3_polar(pyrimidine071,0.367000). 2111p3_size(pyrimidine071,0.100000). 2112p3_flex(pyrimidine071,0.100000). 2113p3_h_donor(pyrimidine071,0.100000). 2114p3_h_acceptor(pyrimidine071,0.100000). 2115p3_pi_donor(pyrimidine071,0.100000). 2116p3_pi_acceptor(pyrimidine071,0.100000). 2117p3_sigma(pyrimidine071,0.100000). 2118activity(pyrimidine071,0.753000). 2119p1_polar(pyrimidine072,0.100000). 2120p1_size(pyrimidine072,0.420000). 2121p1_flex(pyrimidine072,0.300000). 2122p1_h_donor(pyrimidine072,0.100000). 2123p1_h_acceptor(pyrimidine072,0.100000). 2124p1_pi_donor(pyrimidine072,0.100000). 2125p1_pi_acceptor(pyrimidine072,0.100000). 2126p1_polarizable(pyrimidine072,0.367000). 2127p1_sigma(pyrimidine072,0.100000). 2128p2_polar(pyrimidine072,0.260000). 2129p2_size(pyrimidine072,0.420000). 2130p2_flex(pyrimidine072,0.300000). 2131p2_h_donor(pyrimidine072,0.100000). 2132p2_h_acceptor(pyrimidine072,0.100000). 2133p2_pi_donor(pyrimidine072,0.100000). 2134p2_pi_acceptor(pyrimidine072,0.100000). 2135p2_polarizable(pyrimidine072,0.500000). 2136p2_sigma(pyrimidine072,0.100000). 2137p3_polar(pyrimidine072,0.367000). 2138p3_size(pyrimidine072,0.633000). 2139p3_flex(pyrimidine072,0.633000). 2140p3_h_donor(pyrimidine072,0.100000). 2141p3_h_acceptor(pyrimidine072,0.100000). 2142p3_pi_donor(pyrimidine072,0.100000). 2143p3_pi_acceptor(pyrimidine072,0.367000). 2144p3_sigma(pyrimidine072,0.100000). 2145activity(pyrimidine072,0.756000). 2146p1_polar(pyrimidine073,0.300000). 2147p1_size(pyrimidine073,0.420000). 2148p1_flex(pyrimidine073,0.100000). 2149p1_h_donor(pyrimidine073,0.100000). 2150p1_h_acceptor(pyrimidine073,0.500000). 2151p1_pi_donor(pyrimidine073,0.500000). 2152p1_pi_acceptor(pyrimidine073,0.100000). 2153p1_polarizable(pyrimidine073,0.367000). 2154p1_sigma(pyrimidine073,0.260000). 2155p2_polar(pyrimidine073,0.740000). 2156p2_size(pyrimidine073,0.580000). 2157p2_flex(pyrimidine073,0.200000). 2158p2_h_donor(pyrimidine073,0.100000). 2159p2_h_acceptor(pyrimidine073,0.100000). 2160p2_pi_donor(pyrimidine073,0.100000). 2161p2_pi_acceptor(pyrimidine073,0.500000). 2162p2_polarizable(pyrimidine073,0.900000). 2163p2_sigma(pyrimidine073,0.420000). 2164p3_polar(pyrimidine073,0.367000). 2165p3_size(pyrimidine073,0.100000). 2166p3_flex(pyrimidine073,0.100000). 2167p3_h_donor(pyrimidine073,0.100000). 2168p3_h_acceptor(pyrimidine073,0.100000). 2169p3_pi_donor(pyrimidine073,0.100000). 2170p3_pi_acceptor(pyrimidine073,0.100000). 2171p3_sigma(pyrimidine073,0.100000). 2172activity(pyrimidine073,0.772000). 2173p1_polar(pyrimidine074,0.300000). 2174p1_size(pyrimidine074,0.420000). 2175p1_flex(pyrimidine074,0.100000). 2176p1_h_donor(pyrimidine074,0.100000). 2177p1_h_acceptor(pyrimidine074,0.500000). 2178p1_pi_donor(pyrimidine074,0.500000). 2179p1_pi_acceptor(pyrimidine074,0.100000). 2180p1_polarizable(pyrimidine074,0.367000). 2181p1_sigma(pyrimidine074,0.260000). 2182p2_polar(pyrimidine074,0.580000). 2183p2_size(pyrimidine074,0.260000). 2184p2_flex(pyrimidine074,0.100000). 2185p2_h_donor(pyrimidine074,0.100000). 2186p2_h_acceptor(pyrimidine074,0.100000). 2187p2_pi_donor(pyrimidine074,0.500000). 2188p2_pi_acceptor(pyrimidine074,0.100000). 2189p2_polarizable(pyrimidine074,0.900000). 2190p2_sigma(pyrimidine074,0.420000). 2191p3_polar(pyrimidine074,0.633000). 2192p3_size(pyrimidine074,0.633000). 2193p3_flex(pyrimidine074,0.100000). 2194p3_h_donor(pyrimidine074,0.100000). 2195p3_h_acceptor(pyrimidine074,0.500000). 2196p3_pi_donor(pyrimidine074,0.500000). 2197p3_pi_acceptor(pyrimidine074,0.367000). 2198p3_sigma(pyrimidine074,0.367000). 2199activity(pyrimidine074,0.805000)
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induce_hplp([f1,f2,f3],P)
,test_hplp(P,[f4],LL,AUCROC,ROC,AUCPR,PR)
. % learn the structure and the parameters and test the result ?-induce_hplp([f1,f2,f3,f4],P)
. % learn the structure and the parameters */