ATOM 23
1 C8y C 25.6419 -20.2463
2 C8y C 25.6489 -18.8452
3 C8x C 24.4382 -18.1421
4 C8y C 23.2204 -18.8330
5 C8x C 23.2133 -20.2341
6 C8y C 24.4240 -20.9441
7 C8y C 30.4857 -20.2392
8 C8y C 30.4857 -18.8381
9 C8x C 29.2686 -18.1411
10 C8x C 28.0584 -18.8381
11 C8y C 28.0584 -20.2392
12 C8x C 29.2686 -20.9433
13 O2a O 26.8528 -20.9433
14 X Cl 24.4171 -22.3453
15 X Cl 22.0096 -18.1299
16 C7a C 31.6896 -20.9433
17 O7a O 32.9006 -20.2392
18 C1a C 34.1157 -20.9418
19 O6a O 31.6896 -22.3442
20 N2b N 31.6926 -18.1406 #+
21 O3a O 32.9072 -18.8369
22 O3a O 31.6991 -16.7466 #-
23 X Cl 26.8666 -18.1543
BOND 24
1 11 12 2
2 12 7 1
3 6 1 1
4 11 13 1
5 13 1 1
6 6 14 1
7 1 2 2
8 4 15 1
9 2 3 1
10 7 16 1
11 3 4 2
12 16 17 1
13 4 5 1
14 17 18 1
15 5 6 2
16 16 19 2
17 7 8 2
18 8 20 1
19 8 9 1
20 20 21 2
21 9 10 2
22 20 22 1
23 10 11 1
24 2 23 1
|