ATOM 19
1 C8y C 18.2025 -15.3381
2 C8y C 17.5246 -16.5630
3 C8x C 18.2464 -17.7626
4 C8y C 19.6462 -17.8073
5 C8y C 20.3242 -16.5124
6 C8x C 19.6023 -15.3128
7 S4a S 21.7456 -16.4864
8 C8y C 23.1452 -16.5307
9 C8x C 23.8646 -17.6998
10 C8x C 25.2646 -17.6965
11 C8y C 25.9617 -16.4824
12 C8x C 25.2423 -15.2433
13 C8x C 23.8423 -15.2466
14 O3c O 21.7902 -15.0883
15 O3c O 21.7711 -17.8876
16 X Cl 17.4807 -14.1386
17 X Cl 16.1248 -16.5884
18 X Cl 20.3790 -18.9555
19 X Cl 27.3888 -16.4788
BOND 20
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 2
16 7 15 2
17 1 16 1
18 2 17 1
19 4 18 1
20 11 19 1
|