ATOM 25
1 C8y C 25.8456 -16.3281
2 C8y C 25.8456 -17.7295
3 C8y C 27.0593 -18.4303
4 C8y C 28.2730 -17.7295
5 C8y C 28.2730 -16.3281
6 C8x C 27.0593 -15.6273
7 O1a O 24.6319 -15.6273
8 O1a O 29.5054 -15.6163
9 O1a O 27.0593 -19.8315
10 C5a C 29.5054 -18.4413
11 C2b C 30.7119 -17.7449
12 O5a O 29.5051 -19.8316
13 C1b C 24.6319 -18.4303
14 C2b C 23.4352 -17.7391
15 C2c C 22.2465 -18.4254
16 C1a C 21.0542 -17.7366
17 C1a C 22.2463 -19.8315
18 C2b C 31.9223 -18.4438
19 C8y C 33.1476 -17.7369
20 C8x C 34.3718 -18.4446
21 C8x C 35.5846 -17.7453
22 C8y C 35.5854 -16.3453
23 C8x C 34.3612 -15.6376
24 C8x C 33.1484 -16.3369
25 O1a O 36.7643 -15.6661
BOND 26
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 1 7 1
8 5 8 1
9 3 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 2 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 15 17 1
18 11 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 22 25 1
|