ATOM 18
1 C1b C 30.8177 -17.3470
2 C5a C 29.5822 -16.6181
3 X Cl 32.0589 -16.6297
4 N1c N 28.3528 -17.3470
5 O5a O 29.6405 -15.5339
6 C8y C 27.1116 -16.6238
7 C8y C 25.8761 -17.3528
8 C8y C 27.1116 -15.1962
9 C8x C 24.6349 -16.6238
10 C1b C 25.9342 -18.7279
11 C8x C 25.8761 -14.4849
12 C1a C 28.3412 -14.4849
13 C8x C 24.6349 -15.1962
14 C1a C 24.7516 -19.4749
15 C1b C 28.3580 -18.7468
16 O2a O 29.6439 -19.4386
17 C1b C 29.5793 -20.8385
18 C1a C 30.7952 -21.5373
BOND 18
1 4 6 1
2 6 7 2
3 6 8 1
4 7 9 1
5 7 10 1
6 8 11 2
7 8 12 1
8 9 13 2
9 11 13 1
10 10 14 1
11 1 2 1
12 4 15 1
13 1 3 1
14 15 16 1
15 2 4 1
16 16 17 1
17 2 5 2
18 17 18 1
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