ATOM 32
1 C1d C 35.7762 -22.3372
2 C8y C 34.6173 -23.0126
3 C8y C 36.9352 -23.0185
4 C1b C 35.7822 -20.9975
5 C3b C 34.2795 -21.5158
6 C8x C 34.6173 -24.3522
7 C8x C 33.4584 -22.3372
8 C8x C 36.9294 -24.3522
9 C8x C 38.1000 -22.3372
10 C1b C 36.9411 -20.3279
11 N3a N 32.7538 -20.6947
12 C8x C 33.4584 -25.0219
13 C8x C 32.2995 -23.0126
14 C8x C 38.0941 -25.0219
15 C8x C 39.2530 -23.0185
16 N1y N 36.9411 -18.9884
17 C8x C 32.2995 -24.3522
18 C8x C 39.2530 -24.3579
19 C1x C 38.1058 -18.3302
20 C1x C 35.7822 -18.3302
21 C1x C 38.1058 -16.9850
22 C1x C 35.7822 -16.9850
23 C1z C 36.9411 -16.3094
24 C6a C 38.1535 -15.6094
25 C8y C 35.7287 -15.6094
26 C8x C 35.7286 -14.2103
27 C8x C 34.5162 -13.5103
28 C8x C 33.3038 -14.2103
29 C8x C 33.3038 -15.6094
30 C8x C 34.5162 -16.3094
31 O6a O 39.3636 -16.3080
32 O6a O 38.1535 -14.2100
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 2
7 3 8 2
8 3 9 1
9 4 10 1
10 5 11 3
11 6 12 2
12 7 13 1
13 8 14 1
14 9 15 2
15 10 16 1
16 12 17 1
17 14 18 2
18 16 19 1
19 16 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 13 17 2
24 15 18 1
25 22 23 1
26 23 24 1
27 23 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 24 31 1
35 24 32 2
|