ATOM 21
1 C8x C 15.3300 -18.7600
2 C8y C 15.3300 -20.1600
3 C8x C 16.5424 -20.8600
4 C8x C 17.7549 -20.1600
5 C8y C 17.7549 -18.7600
6 C8x C 16.5424 -18.0600
7 X Cl 14.1176 -20.8600
8 N1c N 18.9924 -18.0600
9 C5a C 20.2049 -18.7600
10 C1b C 21.4173 -18.0600
11 S2a S 22.6297 -18.7600
12 C1c C 18.9986 -16.6603
13 C1a C 20.1925 -15.9777
14 C1a C 17.7679 -15.9423
15 O5a O 20.2049 -20.1598
16 P1a P 23.8273 -18.0685
17 O2b O 25.0397 -17.3685
18 S0 S 23.1171 -16.8379
19 O2b O 24.5165 -19.2628
20 C1a C 25.8999 -19.2629
21 C1a C 26.5435 -17.3752
BOND 21
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 8 12 1
13 12 13 1
14 12 14 1
15 9 15 2
16 11 16 1
17 16 17 1
18 16 18 2
19 16 19 1
20 19 20 1
21 17 21 1
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