ATOM 96
1 C8y C 18.8879 -14.0098
2 C8y C 19.2919 -12.6851
3 C1b C 17.6948 -14.6956
4 C8x C 20.0153 -14.8084
5 C8y C 20.6638 -12.6756
6 C8x C 18.5874 -11.5106
7 C1c C 17.6948 -16.0766
8 N4x N 21.1147 -13.9815
9 C8x C 21.3400 -11.4730
10 C8x C 19.2639 -10.3079
11 N1b N 16.5017 -16.7719
12 C5a C 18.8879 -16.7719
13 C8x C 20.6450 -10.2891
14 C5a C 15.3086 -16.0766
15 N1b N 20.0812 -16.0766
16 O5a O 18.8879 -18.1435
17 C1c C 14.1153 -16.7719
18 O5a O 15.3086 -14.6956
19 C1c C 21.2743 -16.7719
20 C1b C 14.1153 -18.1435
21 N1b N 12.9222 -16.0766
22 C5a C 22.4769 -16.0766
23 C1b C 21.2743 -18.1435
24 C8y C 15.3086 -18.8292
25 C5a C 11.7291 -16.7719
26 N1b N 23.6608 -16.7719
27 O5a O 22.4769 -14.6956
28 O1a O 22.4769 -18.8292
29 C8x C 16.5674 -18.2843
30 N5x N 15.4495 -20.2103
31 C1y C 10.5265 -16.0766
32 O5a O 11.7291 -18.1435
33 C1c C 24.8538 -16.0766
34 N4x N 17.4883 -19.3085
35 C8x C 16.8022 -20.5016
36 C1x C 9.2770 -16.6308
37 N1x N 10.3857 -14.6956
38 C1b C 24.8538 -14.6956
39 C5a C 26.0565 -16.7719
40 C1x C 8.3561 -15.6069
41 C5x C 9.0326 -14.4136
42 C8y C 26.0565 -14.0098
43 N1b N 27.2403 -16.0766
44 O5a O 26.0469 -17.9743
45 O5x O 8.4785 -13.1453
46 C8x C 27.2307 -14.6956
47 C8x C 26.0469 -12.6287
48 C1c C 28.4426 -16.7719
49 C8x C 28.4333 -14.0098
50 C8x C 27.2307 -11.9427
51 C1b C 28.4009 -18.9516
52 C5a C 29.6360 -16.0766
53 C8y C 28.4333 -12.6287
54 C8y C 27.2683 -19.6278
55 N1b N 30.8290 -16.7719
56 O5a O 29.6360 -14.6956
57 O1a O 29.6264 -11.9427
58 C8x C 27.2779 -21.0089
59 C8x C 26.0845 -18.9516
60 C1c C 32.0221 -16.0766
61 C8y C 26.0845 -21.7042
62 C8x C 24.8914 -19.6373
63 C5a C 33.2155 -16.7719
64 C1b C 32.0221 -14.6956
65 C8y C 24.8914 -21.0089
66 C8x C 26.0845 -23.0853
67 N1b N 34.4086 -16.0766
68 O5a O 33.2155 -18.1435
69 C1c C 33.2155 -14.0098
70 C8x C 23.7076 -21.7042
71 C8x C 24.8914 -23.7710
72 C1c C 35.6016 -16.7719
73 C1a C 34.4086 -14.6956
74 C1a C 33.2155 -12.6287
75 C8x C 23.7076 -23.0757
76 C5a C 36.7950 -16.0766
77 C1b C 35.6016 -18.1435
78 N1y N 37.9881 -16.7719
79 O5a O 36.7950 -14.6956
80 C1b C 34.4086 -18.8292
81 C1y C 39.3691 -16.7812
82 C1x C 37.5560 -18.0871
83 C1b C 34.4086 -20.2103
84 C1x C 39.7920 -18.0966
85 C5a C 40.5622 -16.0859
86 C1x C 38.6738 -18.8952
87 N1b N 33.2155 -20.9056
88 N1b N 41.7553 -16.7812
89 O5a O 40.5622 -14.7144
90 C2c C 32.0221 -20.2103
91 C1b C 41.8024 -19.7125
92 N1a N 32.0221 -18.8292
93 N2a N 30.8290 -20.9056
94 C5a C 40.6094 -20.4076
95 N1a N 40.6094 -21.7887
96 O5a O 39.4067 -19.7125
BOND 103
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 7 12 1
12 9 13 2
13 11 14 1
14 12 15 1
15 12 16 2
16 14 17 1
17 14 18 2
18 15 19 1
19 17 20 1
20 17 21 1
21 19 22 1
22 19 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 2
27 23 28 1
28 24 29 2
29 24 30 1
30 25 31 1
31 25 32 2
32 26 33 1
33 29 34 1
34 30 35 2
35 31 36 1
36 31 37 1
37 33 38 1
38 33 39 1
39 36 40 1
40 37 41 1
41 38 42 1
42 39 43 1
43 39 44 2
44 41 45 2
45 42 46 2
46 42 47 1
47 43 48 1
48 46 49 1
49 47 50 2
50 48 51 1
51 48 52 1
52 49 53 2
53 51 54 1
54 52 55 1
55 52 56 2
56 53 57 1
57 54 58 2
58 54 59 1
59 55 60 1
60 58 61 1
61 59 62 2
62 60 63 1
63 60 64 1
64 61 65 2
65 61 66 1
66 63 67 1
67 63 68 2
68 64 69 1
69 65 70 1
70 66 71 2
71 67 72 1
72 69 73 1
73 69 74 1
74 70 75 2
75 72 76 1
76 72 77 1
77 76 78 1
78 76 79 2
79 77 80 1
80 78 81 1
81 78 82 1
82 80 83 1
83 81 84 1
84 81 85 1
85 82 86 1
86 83 87 1
87 85 88 1
88 85 89 2
89 87 90 1
90 88 91 1
91 90 92 1
92 90 93 2
93 91 94 1
94 94 95 1
95 94 96 2
96 5 8 1
97 10 13 1
98 34 35 1
99 40 41 1
100 50 53 1
101 62 65 1
102 71 75 1
103 84 86 1
| 
