ATOM 19
1 C8y C 31.9977 -18.7236
2 N1c N 33.1854 -19.4223
3 C8x C 31.9977 -17.3264
4 C8x C 30.7402 -19.4223
5 C1b C 34.3731 -18.7236
6 C1b C 33.1854 -20.8195
7 C8x C 30.7402 -16.6277
8 C8x C 29.5525 -18.7236
9 C1b C 34.3731 -17.3264
10 C1b C 31.9977 -21.5182
11 C8y C 29.5525 -17.3264
12 X Cl 35.6307 -16.6277
13 X Cl 31.9977 -22.9155
14 C1b C 28.3648 -16.6277
15 C1b C 27.1073 -17.3264
16 C1b C 25.9196 -16.6277
17 C6a C 24.7319 -17.3264
18 O6a O 23.4744 -16.6277
19 O6a O 24.7319 -18.7236
BOND 19
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 1
10 7 11 2
11 9 12 1
12 10 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 17 19 2
19 8 11 1
|