ATOM 20
1 C8y C 25.7808 -21.9312
2 C8x C 24.6027 -21.2167
3 C8y C 23.3751 -21.8906
4 C8y C 23.3450 -23.2906
5 C8x C 24.5231 -24.0051
6 C8x C 25.7507 -23.3313
7 X Cl 22.1587 -21.1530
8 X Cl 22.1322 -23.9566
9 C8y C 29.2290 -20.8376
10 N1a N 30.6182 -21.0142
11 S2x S 28.5553 -19.6100
12 C8y C 27.1796 -19.8713
13 C8y C 27.0030 -21.2605
14 N5x N 28.2696 -21.8577
15 C8y C 26.1640 -18.9163
16 C8x C 26.4897 -17.5316
17 C8x C 25.4696 -16.5723
18 N5x N 24.1287 -16.9762
19 C8x C 23.8030 -18.3609
20 C8x C 24.8232 -19.3202
BOND 22
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 3 7 1
8 4 8 1
9 9 10 1
10 9 11 1
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 12 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 1 13 1
|