2
;model
BS
H = 0.90, 0.36 (1.0, 1.0, 1.0) ;Hydrogen
D = 0.90, 0.36 (1.0, 1.0, 1.0) ;Deuterium
N = 1.5, 0.6 (0.,0.,1.0) ;Nitrogen
C = 1.5, 0.6 (0.5,0.5,0.5) ;Carbon
O = 1.4, 0.56 (1.0,0.0,0.0) ;Oxygen
P = 2.1, 1.1 (0.85, 0.85, 0.0) ;Phosphorus
A = 2.3, 1.4 (1.0, 0.0, 1.0) ;Cobalt
A1	 : 	1.37853   4.00160   0.32580
C1	 : 	0.63496   5.72092  -1.84262
C2	 : 	1.18637   6.05782  -3.28568
C3	 : 	1.48157   4.60803  -3.84968
H1	 : 	2.40058   4.64064  -4.47516
C4	 : 	1.79348   3.86683  -2.57414
C5	 : 	2.52590   2.56485  -2.56492
C6	 : 	2.54540   1.84104  -1.44920
C7	 : 	3.26390   0.49341  -1.24173
C8	 : 	2.50363  -0.10216  -0.00154
H2	 : 	3.12466  -0.69338   0.67466
C9	 : 	2.08032   1.18461   0.67005
C10	 : 	1.98842   1.27373   2.03626
H3	 : 	2.13602   0.36734   2.58797
C11	 : 	1.66259   2.42791   2.75702
C12	 : 	1.70436   2.55615   4.26155
C13	 : 	0.80484   3.81249   4.47055
H4	 : 	1.13067   4.31677   5.32809
C14	 : 	0.99142   4.51457   3.16120
C15	 : 	0.65724   5.86872   2.96449
C16	 : 	0.67952   6.42516   1.63516
C17	 : 	0.45115   7.95755   1.29245
C18	 : 	0.17266   7.84670  -0.24281
H5	 : 	-0.87446   7.59456  -0.35500
C19	 : 	1.01370   6.63383  -0.65007
H6	 : 	2.03298   6.85336  -0.78069
C20	 : 	-0.93573   5.55355  -1.85953
H7	 : 	-1.25321   4.68193  -2.49576
H8	 : 	-1.31447   5.28402  -0.86061
H9	 : 	-1.44815   6.40125  -2.22990
N1	 : 	1.29776   4.43414  -1.52451
N2	 : 	1.96892   2.20838  -0.20132
N3	 : 	1.33675   3.61904   2.17457
N4	 : 	0.93851   5.74917   0.57323
C21	 : 	0.29798   6.89466  -4.14936
H10	 : 	0.76585   7.16201  -5.10679
H11	 : 	-0.70458   6.36865  -4.34453
H12	 : 	0.12254   7.87278  -3.68678
C22	 : 	2.59831   6.74903  -3.15966
H13	 : 	3.21934   6.30996  -2.35438
H14	 : 	2.41729   7.84235  -2.79698
C23	 : 	3.38644   6.84249  -4.42445
O1	 : 	3.03554   7.57065  -5.36036
N5	 : 	4.43078   6.06000  -4.51051
D1	 : 	4.94320   5.98827  -5.39109
D2	 : 	4.72598   5.45791  -3.76362
C24	 : 	0.40660   3.88422  -4.65804
H15	 : 	-0.53749   3.99073  -4.18471
H16	 : 	0.60989   2.78873  -4.62116
C25	 : 	0.32583   4.26243  -6.12568
H17	 : 	-0.55976   3.59731  -6.58519
H18	 : 	-0.06962   5.30141  -6.28090
C26	 : 	1.59575   4.00160  -6.88333
O2	 : 	2.09146   2.87567  -6.91406
N6	 : 	2.11095   5.03840  -7.50266
D3	 : 	2.99377   4.92103  -7.94679
D4	 : 	1.65702   5.97957  -7.51802
C27	 : 	3.29175   2.23229  -3.79743
H19	 : 	3.68999   3.13433  -4.32455
H20	 : 	2.68464   1.82582  -4.68109
H21	 : 	4.11330   1.57369  -3.62531
C28	 : 	3.28340  -0.50645  -2.44659
H22	 : 	2.28362  -0.49775  -3.03364
H23	 : 	3.99076  -0.29126  -3.19501
H24	 : 	3.50062  -1.43675  -2.15152
C29	 : 	4.75382   0.84118  -0.79914
H25	 : 	4.72598   1.37806   0.04764
H26	 : 	5.12143   1.45849  -1.64591
C30	 : 	5.71183  -0.27387  -0.53020
O3	 : 	5.31637  -1.44979  -0.30582
N7	 : 	7.00402   0.20649  -0.33810
D5	 : 	7.79772  -0.46298  -0.05686
D6	 : 	7.26302   1.15201  -0.46565
N8	 : 	6.32172  -0.66077  -1.82418
D7	 : 	6.77845  -1.68671  -2.00860
D8	 : 	6.51388   0.04999  -2.29598
C31	 : 	1.27548  -0.95421  -0.43645
H27	 : 	1.53170  -1.81713  -0.85907
H28	 : 	0.79370  -0.35647  -1.23559
C32	 : 	0.33419  -1.32155   0.72383
H29	 : 	-0.11697  -0.43907   1.16797
H30	 : 	0.97472  -1.85191   1.58598
C33	 : 	-0.70736  -2.24750   0.22130
O4	 : 	-0.49014  -3.44081   0.07223
N9	 : 	-1.85753  -1.76496  -0.25665
D9	 : 	-2.43957  -2.31488  -0.91593
D10	 : 	-2.00791  -0.77163  -0.20593
C34	 : 	3.18871   2.93219   4.65650
H31	 : 	3.28340   2.99087   5.61700
H32	 : 	3.95177   2.18447   4.28921
H33	 : 	3.35859   3.86249   4.23081
C35	 : 	1.37017   1.25634   4.96694
H34	 : 	2.05526   0.49775   4.72720
H35	 : 	0.27849   0.89987   4.74871
H36	 : 	1.36182   1.33024   6.03809
C36	 : 	-0.71850   3.42994   4.64728
H37	 : 	-0.90509   2.66049   3.97263
H38	 : 	-1.27548   4.38850   4.37220
C37	 : 	-1.06105   3.00826   6.10263
H39	 : 	-1.42308   3.97551   6.59441
H40	 : 	-0.18102   2.82133   6.64359
C38	 : 	-2.06361   1.94320   6.31164
O5	 : 	-2.04690   1.30851   7.37510
N10	 : 	-2.93250   1.69975   5.34806
D11	 : 	-3.62037   0.97595   5.51865
D12	 : 	-2.98820   2.23011   4.59196
C39	 : 	0.40660   6.68599   4.21852
H41	 : 	0.39267   6.28822   4.95925
H42	 : 	0.86610   7.62499   4.06637
H43	 : 	-0.39267   7.18375   4.11709
C40	 : 	1.78234   8.70309   1.61364
H44	 : 	1.74892   9.75512   1.42615
H45	 : 	2.66236   8.21838   1.06654
H46	 : 	2.06361   8.60963   2.69708
C41	 : 	-0.68787   8.70744   1.99323
H47	 : 	-0.79927   9.69208   1.49223
H48	 : 	-0.40381   8.93567   3.05670
C42	 : 	-2.05526   8.02928   2.05163
H49	 : 	-1.91601   6.94030   2.40048
H50	 : 	-2.56211   7.89234   1.03580
C43	 : 	-2.94642   8.72918   3.01828
O6	 : 	-2.72642   8.79004   4.23849
N11	 : 	-3.99633   9.37256   2.49115
D13	 : 	-4.21634   9.20520   1.53219
C44	 : 	0.41774   9.10086  -1.05885
H51	 : 	0.64610   8.82699  -2.12386
H52	 : 	1.41751   9.60949  -0.68541
C45	 : 	-0.67673  10.05725  -1.10342
O7	 : 	-1.86867   9.69643  -1.34163
N12	 : 	-0.39546  11.35054  -0.87444
D14	 : 	-1.15016  12.07000  -0.96050
D15	 : 	0.52913  11.68310  -0.61011
C46	 : 	-4.91256  10.14202   3.28261
H53	 : 	-5.44726  10.81366   2.67864
H54	 : 	-4.27204  10.67890   4.06484
C47	 : 	-6.00424   9.31388   4.05101
H55	 : 	-5.55031   8.55964   4.62116
C48	 : 	-6.92883  10.17245   4.77637
H56	 : 	-7.77823   9.85510   5.22666
H57	 : 	-6.44983  10.76367   5.59549
H58	 : 	-7.63341  10.80714   3.92960
P1	 : 	-6.99288   7.04029   3.11663
O8	 : 	-5.62550   6.59035   2.44659
O9	 : 	-6.78123   8.62484   3.00598
O10	 : 	-7.05972   6.59035   4.54585
O11	 : 	-8.19875   6.61861   2.25295
C49	 : 	-4.06874   3.37560   1.74734
H59	 : 	-4.76775   2.41052   1.62901
C50	 : 	-4.73712   4.56456   1.19409
H60	 : 	-5.57815   4.37763   0.50100
C51	 : 	-5.30523   5.16882   2.54648
H61	 : 	-6.15741   4.51457   2.81695
C52	 : 	-4.15507   4.89712   3.50698
H62	 : 	-3.35023   5.62962   3.28414
C53	 : 	-4.52268   4.89712   4.96079
H63	 : 	-4.52546   5.92958   5.30811
H64	 : 	-3.69835   4.49718   5.54785
O12	 : 	-3.71784   3.57122   3.10126
O13	 : 	-3.89329   5.50138   0.66697
D16	 : 	-3.98798   5.47312  -0.26587
O14	 : 	-5.67563   4.16462   5.29428
D17	 : 	-6.39413   4.84495   5.17287
N13	 : 	-2.81275   3.03435   1.00507
C54	 : 	-1.61803   3.60383   1.18795
H65	 : 	-1.40637   4.29938   1.97171
N14	 : 	-0.72686   3.22780   0.27816
C55	 : 	-1.02763   1.73453  -1.74580
C56	 : 	-1.92715   0.93682  -2.47886
H66	 : 	-0.02785   1.76496  -2.06700
C57	 : 	-3.29454   0.86292  -2.03780
C58	 : 	-3.72341   1.52804  -0.85600
C59	 : 	-2.74591   2.27576  -0.16905
H67	 : 	-4.76496   1.43675  -0.46411
C60	 : 	-1.37017   2.37140  -0.59320
C61	 : 	-1.49549   0.20214  -3.66834
H68	 : 	-0.40381   0.30213  -3.74518
H69	 : 	-2.06083   0.53036  -4.57659
H70	 : 	-1.62360  -0.84336  -3.62839
C62	 : 	-4.26925   0.05869  -2.76778
H71	 : 	-5.15207   0.11520  -2.36206
H72	 : 	-4.24697   0.32169  -3.84968
H73	 : 	-3.97962  -0.94769  -2.92607
N15	 : 	5.60879   5.75352   7.96063
C63	 : 	4.98497   6.74686   7.27214
H74	 : 	4.52825   7.48588   7.83000
N16	 : 	4.87358   6.82728   5.91975
C64	 : 	5.47511   5.82960   5.28813
C65	 : 	6.18805   4.74497   5.94127
C66	 : 	6.21311   4.76453   7.32285
N17	 : 	6.70047   3.94291   4.93620
C67	 : 	6.30501   4.45153   3.80358
H75	 : 	6.49717   3.96247   2.86460
N18	 : 	5.60322   5.57746   3.95726
N19	 : 	6.77845   3.77772   8.03132
D18	 : 	6.81465   3.88857   9.00565
D19	 : 	7.26859   2.99522   7.64712
C68	 : 	4.93484   6.39256   2.91070
H76	 : 	4.59230   7.33807   3.42399
C69	 : 	5.89842   6.76424   1.73812
H77	 : 	6.88149   6.64035   2.02704
C70	 : 	5.45562   5.77526   0.63163
H78	 : 	5.94298   4.72975   0.83602
C71	 : 	3.94620   5.59702   0.93284
H79	 : 	3.48948   6.46429   0.57015
C72	 : 	3.39201   4.31894   0.39035
H80	 : 	3.77632   3.47559   0.95589
H81	 : 	3.70392   4.14940  -0.62087
O15	 : 	3.85987   5.66005   2.35130
O16	 : 	5.53917   8.04449   1.35546
D20	 : 	6.07387   8.27055   0.70386
O17	 : 	5.71461   6.28823  -0.59320
D21	 : 	5.73411   5.50790  -1.22944
A1	 , 	N1
A1	 , 	N2
A1	 , 	N3
A1	 , 	N4
A1	 , 	N14
A1	 , 	C72
C1	 , 	C2
C1	 , 	C19
C1	 , 	C20
C1	 , 	N1
C2	 , 	C3
C2	 , 	C21
C2	 , 	C22
C3	 , 	H1
C3	 , 	C4
C3	 , 	C24
C4	 , 	C5
C4	 , 	N1
C5	 , 	C6
C5	 , 	C27
C6	 , 	C7
C6	 , 	N2
C7	 , 	C8
C7	 , 	C28
C7	 , 	C29
C8	 , 	H2
C8	 , 	C9
C8	 , 	C31
C9	 , 	C10
C9	 , 	N2
C10	 , 	H3
C10	 , 	C11
C11	 , 	C12
C11	 , 	N3
C12	 , 	C13
C12	 , 	C34
C12	 , 	C35
C13	 , 	H4
C13	 , 	C14
C13	 , 	C36
C14	 , 	C15
C14	 , 	N3
C15	 , 	C16
C15	 , 	C39
C16	 , 	C17
C16	 , 	N4
C17	 , 	C18
C17	 , 	C40
C17	 , 	C41
C18	 , 	H5
C18	 , 	C19
C18	 , 	C44
C19	 , 	H6
C19	 , 	N4
C20	 , 	H7
C20	 , 	H8
C20	 , 	H9
C21	 , 	H10
C21	 , 	H11
C21	 , 	H12
C22	 , 	H13
C22	 , 	H14
C22	 , 	C23
C23	 , 	O1
C23	 , 	N5
N5	 , 	D1
N5	 , 	D2
C24	 , 	H15
C24	 , 	H16
C24	 , 	C25
C25	 , 	H17
C25	 , 	H18
C25	 , 	C26
C26	 , 	O2
C26	 , 	N6
N6	 , 	D3
N6	 , 	D4
C27	 , 	H19
C27	 , 	H20
C27	 , 	H21
C28	 , 	H22
C28	 , 	H23
C28	 , 	H24
C29	 , 	H25
C29	 , 	H26
C29	 , 	C30
C30	 , 	O3
C30	 , 	N7
C30	 , 	N8
N7	 , 	D5
N7	 , 	D6
N8	 , 	D7
N8	 , 	D8
C31	 , 	H27
C31	 , 	H28
C31	 , 	C32
C32	 , 	H29
C32	 , 	H30
C32	 , 	C33
C33	 , 	O4
C33	 , 	N9
N9	 , 	D9
N9	 , 	D10
C34	 , 	H31
C34	 , 	H32
C34	 , 	H33
C35	 , 	H34
C35	 , 	H35
C35	 , 	H36
C36	 , 	H37
C36	 , 	H38
C36	 , 	C37
C37	 , 	H39
C37	 , 	H40
C37	 , 	C38
C38	 , 	O5
C38	 , 	N10
N10	 , 	D11
N10	 , 	D12
C39	 , 	H41
C39	 , 	H42
C39	 , 	H43
C40	 , 	H44
C40	 , 	H45
C40	 , 	H46
C41	 , 	H47
C41	 , 	H48
C41	 , 	C42
C42	 , 	H49
C42	 , 	H50
C42	 , 	C43
C43	 , 	O6
C43	 , 	N11
N11	 , 	D13
N11	 , 	C46
C44	 , 	H51
C44	 , 	H52
C44	 , 	C45
C45	 , 	O7
C45	 , 	N12
N12	 , 	D14
N12	 , 	D15
C46	 , 	H53
C46	 , 	H54
C46	 , 	C47
C47	 , 	H55
C47	 , 	C48
C47	 , 	O9
C48	 , 	H56
C48	 , 	H57
C48	 , 	H58
P1	 , 	O8
P1	 , 	O9
P1	 , 	O10
P1	 , 	O11
O8	 , 	C51
C49	 , 	H59
C49	 , 	C50
C49	 , 	O12
C49	 , 	N13
C50	 , 	H60
C50	 , 	C51
C50	 , 	O13
C51	 , 	H61
C51	 , 	C52
C52	 , 	H62
C52	 , 	C53
C52	 , 	O12
C53	 , 	H63
C53	 , 	H64
C53	 , 	O14
O13	 , 	D16
O14	 , 	D17
N13	 , 	C54
N13	 , 	C59
C54	 , 	H65
C54	 , 	N14
N14	 , 	C60
C55	 , 	C56
C55	 , 	H66
C55	 , 	C60
C56	 , 	C57
C56	 , 	C61
C57	 , 	C58
C57	 , 	C62
C58	 , 	C59
C58	 , 	H67
C59	 , 	C60
C61	 , 	H68
C61	 , 	H69
C61	 , 	H70
C62	 , 	H71
C62	 , 	H72
C62	 , 	H73
N15	 , 	C63
N15	 , 	C66
C63	 , 	H74
C63	 , 	N16
N16	 , 	C64
C64	 , 	C65
C64	 , 	N18
C65	 , 	C66
C65	 , 	N17
C66	 , 	N19
N17	 , 	C67
C67	 , 	H75
C67	 , 	N18
N18	 , 	C68
N19	 , 	D18
N19	 , 	D19
C68	 , 	H76
C68	 , 	C69
C68	 , 	O15
C69	 , 	H77
C69	 , 	C70
C69	 , 	O16
C70	 , 	H78
C70	 , 	C71
C70	 , 	O17
C71	 , 	H79
C71	 , 	C72
C71	 , 	O15
C72	 , 	H80
C72	 , 	H81
O16	 , 	D20
O17	 , 	D21