ATOM 32
1 C8x C 16.3213 -14.9368
2 C8x C 16.3213 -16.3413
3 C8x C 17.5376 -17.0436
4 C8y C 18.7540 -16.3413
5 C8y C 18.7540 -14.9368
6 C8x C 17.5376 -14.2346
7 O2x O 19.9703 -17.0436
8 C1y C 21.1866 -16.3413
9 C1x C 21.1866 -14.9368
10 O2x O 19.9703 -14.2346
11 C1c C 22.3880 -17.0351
12 C1b C 23.5802 -16.3469
13 N1b N 24.7748 -17.0367
14 C1b C 25.9682 -16.3477
15 C1c C 27.1622 -17.0371
16 C1y C 28.3561 -16.3479
17 O2x O 29.5724 -17.0501
18 C8y C 30.7887 -16.3479
19 C8y C 30.7887 -14.9433
20 O2x O 29.5724 -14.2411
21 C1x C 28.3561 -14.9433
22 C8x C 32.0051 -17.0501
23 C8x C 33.2214 -16.3479
24 C8x C 33.2214 -14.9433
25 C8x C 32.0051 -14.2411
26 O1a O 22.3881 -18.4478
27 O1a O 27.1623 -18.4479
28 S4a S 38.7495 -16.4251
29 C1a C 37.3498 -16.4193
30 O1d O 40.1491 -16.4251
31 O1d O 38.8136 -15.0254
32 O1d O 38.8136 -17.8248
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 5 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 18 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 19 25 2
29 11 26 1 #Down
30 15 27 1 #Down
31 28 29 1
32 28 30 1
33 28 31 2
34 28 32 2
|