ATOM 32
1 C8y C 10.0800 -18.6900
2 C8y C 10.0800 -20.0900
3 C8x C 11.2924 -20.7900
4 C8y C 12.5049 -20.0900
5 C8y C 12.5049 -18.6900
6 C8y C 11.2924 -17.9900
7 C8x C 13.7173 -20.7900
8 C8y C 14.9297 -20.0900
9 C8x C 14.9297 -18.6900
10 C8x C 13.7173 -17.9900
11 N2b N 11.2924 -16.5902
12 N2b N 12.4880 -15.8998
13 C8y C 12.4880 -14.4998
14 C8x C 13.6834 -13.8093
15 C8y C 13.6831 -12.4093
16 C8y C 12.4705 -11.7096
17 C8x C 11.2751 -12.4001
18 C8y C 11.2754 -13.8001
19 C1a C 12.4703 -10.2900
20 C1a C 14.8784 -11.7183
21 C1a C 10.0635 -14.5002
22 O1a O 8.8676 -17.9900
23 S4a S 8.8676 -20.7900
24 O1d O 7.3751 -21.6300 #-
25 O1d O 8.0616 -19.6614
26 O1d O 9.6887 -21.9398
27 S4a S 16.1273 -20.7815
28 O1d O 17.3397 -21.4815 #-
29 O1d O 15.4171 -22.0121
30 O1d O 16.8165 -19.5872
31 Z Na 4.3400 -20.3000 #+
32 Z Na 19.1800 -20.9300
BOND 32
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 6 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 15 20 1
23 18 21 1
24 1 22 1
25 2 23 1
26 23 24 1
27 23 25 2
28 23 26 2
29 8 27 1
30 27 28 1
31 27 29 2
32 27 30 2
| 
