ATOM 22
1 C8x C 23.6510 -18.0536
2 C8y C 23.6510 -16.6521
3 C8x C 24.8685 -15.9548
4 C8x C 24.8685 -18.7578
5 C8y C 26.0791 -18.0536
6 C8y C 26.1432 -16.6521
7 C8y C 27.2918 -15.9498
8 C8y C 28.5095 -16.6418
9 C8y C 28.5154 -18.0433
10 N4y N 27.3038 -18.7527
11 C8y C 29.7224 -18.7390
12 C8x C 30.9339 -18.0296
13 C8x C 32.1516 -18.7287
14 C8x C 32.1577 -20.1302
15 C8x C 30.9459 -20.8325
16 C8x C 29.7283 -20.1405
17 O2a O 22.4397 -15.9548
18 O2a O 29.7077 -15.9548
19 C1a C 30.9191 -16.6521
20 C1a C 27.2991 -20.1522
21 O5x O 27.2780 -14.5533
22 C1a C 21.2330 -16.6536
BOND 24
1 1 2 1
2 2 3 2
3 3 6 1
4 5 4 1
5 4 1 2
6 11 12 2
7 12 13 1
8 13 14 2
9 14 15 1
10 15 16 2
11 16 11 1
12 9 11 1
13 5 6 2
14 2 17 1
15 6 7 1
16 7 8 1
17 8 18 1
18 8 9 2
19 18 19 1
20 9 10 1
21 10 20 1
22 10 5 1
23 7 21 2
24 17 22 1
|