 ATOM 24
1 C1y C 14.9034 -15.2694
2 C1x C 14.0613 -14.1598
3 C5x C 14.3965 -12.8030
4 N1y N 15.6575 -12.2249
5 S2x S 16.3092 -15.2946
6 C8y C 16.9111 -12.8472
7 C8y C 17.1976 -14.2159
8 O5x O 13.3894 -11.8346
9 C8x C 18.5288 -14.6530
10 C8x C 19.5730 -13.7186
11 C8x C 19.2866 -12.3499
12 C8x C 17.9552 -11.9128
13 C8y C 14.2689 -16.5191
14 C8x C 12.8673 -16.5191
15 C8x C 12.1673 -17.7316
16 C8x C 12.8673 -18.9440
17 C8x C 14.2689 -18.9440
18 C8x C 14.9689 -17.7316
19 C1b C 15.6575 -9.8449
20 C1b C 16.8755 -9.1415
21 N1c N 18.0961 -9.8458
22 C1a C 19.3226 -9.1367
23 C1a C 18.0961 -11.2696
24 X Cl 21.7000 -15.3300
BOND 25
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 7 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 6 12 2
14 1 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 13 18 2
21 4 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 21 23 1
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