ATOM 29
1 C1y C 14.2372 -16.0375
2 C1y C 14.2371 -14.6338
3 C1y C 12.9021 -14.2001
4 C1x C 12.0771 -15.3357
5 C1y C 12.9022 -16.4713
6 C1b C 15.3977 -13.7908
7 C8y C 21.5316 -17.3319
8 C8x C 21.5316 -18.7299
9 C8x C 22.7423 -19.4290
10 C8x C 23.9531 -18.7299
11 C8y C 23.9531 -17.3319
12 C8x C 22.7423 -16.6328
13 O2a O 20.3209 -16.6328
14 C1b C 19.1100 -15.9338
15 C1c C 17.8806 -16.6438
16 C1b C 16.6771 -15.9491
17 S2a S 15.4964 -16.6309
18 X Cl 25.1825 -16.6219
19 C2b C 16.6512 -14.3488
20 C2b C 18.0493 -14.3488
21 C1b C 19.2600 -13.6498
22 C1b C 20.4862 -14.3583
23 C1b C 21.7086 -13.6534
24 C6a C 22.9314 -14.3607
25 O6a O 24.1563 -13.6553
26 O6a O 22.9301 -15.7241
27 O1a O 17.8809 -18.0308
28 O1a O 12.4667 -17.8109
29 O1a O 12.4690 -12.8676
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Up
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 7 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 11 18 1
19 1 17 1 #Down
20 6 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 24 26 2
28 15 27 1 #Down
29 5 28 1 #Up
30 3 29 1 #Up
| 
