ATOM 21
1 O6a O 11.4800 -10.0100
2 C6a C 12.6924 -9.3100
3 C1b C 13.9049 -10.0100
4 S2a S 15.1173 -9.3100
5 C8y C 16.3297 -10.0100
6 O6a O 12.6924 -7.9102
7 N5x N 16.3297 -11.4099
8 C8y C 17.5422 -12.1099
9 C8x C 18.7546 -11.4099
10 C8y C 18.7546 -10.0100
11 N5x N 17.5422 -9.3100
12 X Cl 17.5422 -13.5097
13 N1b N 19.9711 -9.3077
14 C8y C 21.1686 -9.9992
15 C8x C 21.1687 -11.4097
16 C8x C 22.3811 -12.1096
17 C8x C 23.5935 -11.4096
18 C8y C 23.5935 -9.9991
19 C8y C 22.3810 -9.2992
20 C1a C 22.3811 -7.9101
21 C1a C 24.7986 -9.3033
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 2 6 2
6 5 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 5 11 1
12 8 12 1
13 10 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 19 20 1
22 18 21 1
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