ATOM 34
1 C8x C 15.7551 -18.6669
2 C8y C 15.7551 -20.0673
3 C8x C 16.9647 -20.7711
4 C8x C 16.9647 -17.9702
5 X Cl 14.5418 -20.7716
6 C8y C 18.1743 -18.6669
7 C8y C 18.1684 -20.0673
8 N5x N 19.3790 -20.7762
9 C8y C 20.5957 -20.0776
10 C8x C 20.6018 -18.6772
11 C8x C 19.3910 -17.9755
12 C2b C 21.8065 -20.7865
13 C2b C 23.0232 -20.0879
14 C8y C 24.2340 -20.7968
15 C8x C 24.2213 -22.1920
16 C8x C 25.4321 -22.8939
17 C8x C 26.6417 -22.2023
18 C8y C 26.6477 -20.8020
19 C8x C 25.4441 -20.0932
20 C1c C 27.8643 -20.1035
21 S2a S 29.0750 -20.8123
22 C1b C 30.2917 -20.1138
23 C1b C 31.5025 -20.8226
24 C5a C 32.7192 -20.1241
25 N1c N 33.9298 -20.8329
26 C1a C 35.1465 -20.1344
27 C1a C 33.9239 -22.2334
28 O5a O 32.6551 -18.7236
29 S2a S 27.8632 -18.7054
30 C1b C 29.0668 -17.9912
31 C1b C 29.0538 -16.5980
32 C6a C 30.2573 -15.8839
33 O6a O 30.2476 -14.4845
34 O6a O 31.4765 -16.5726
BOND 36
1 6 7 2
2 14 15 1
3 15 16 2
4 16 17 1
5 17 18 2
6 18 19 1
7 19 14 2
8 7 8 1
9 18 20 1
10 8 9 2
11 20 21 1
12 9 10 1
13 21 22 1
14 10 11 2
15 22 23 1
16 11 6 1
17 23 24 1
18 2 5 1
19 24 25 1
20 9 12 1
21 25 26 1
22 1 2 1
23 25 27 1
24 12 13 2
25 24 28 2
26 2 3 2
27 20 29 1
28 13 14 1
29 29 30 1
30 3 7 1
31 30 31 1
32 6 4 1
33 31 32 1
34 4 1 2
35 32 33 1
36 32 34 2
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