ATOM 23
1 C1b C 27.3517 -18.4370
2 C8y C 26.1493 -16.3238
3 C1y C 27.3634 -17.0360
4 C8y C 26.1608 -14.9230
5 C8x C 24.9467 -17.0302
6 N1y N 28.5775 -16.3355
7 C8x C 24.9467 -14.2225
8 C1x C 27.3751 -14.2283
9 C8y C 23.7267 -16.3238
10 C1x C 28.5834 -14.9287
11 C1a C 29.7859 -17.0360
12 C8y C 23.7267 -14.9230
13 O2a O 22.5126 -17.0302
14 O2a O 22.5126 -14.2225
15 C1a C 21.2983 -16.3238
16 C1a C 21.2983 -14.9113
17 C8y C 28.5553 -19.1453
18 C8x C 28.5413 -20.5381
19 C8x C 29.7449 -21.2464
20 C8y C 30.9602 -20.5583
21 C8x C 30.9719 -19.1617
22 C8x C 29.7683 -18.4534
23 O1a O 32.1638 -21.2665
BOND 25
1 4 8 1
2 5 9 2
3 6 10 1
4 6 11 1
5 7 12 2
6 9 13 1
7 12 14 1
8 13 15 1
9 14 16 1
10 8 10 1
11 9 12 1
12 1 17 1
13 2 3 1
14 2 4 2
15 2 5 1
16 3 1 1 #Down
17 3 6 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 17 1
24 4 7 1
25 20 23 1
|