ATOM 21
1 C8x C 13.8600 -20.3700
2 C8x C 13.8600 -21.7700
3 C8x C 15.0724 -22.4700
4 C8y C 16.2849 -21.7700
5 C8y C 16.2849 -20.3700
6 C8y C 15.0724 -19.6700
7 C1b C 15.0724 -18.2702
8 C1a C 13.8432 -17.5603
9 C1b C 17.5160 -22.4810
10 N1c N 17.5224 -19.6700
11 C5a C 18.7349 -20.3700
12 C1b C 19.9473 -19.6700
13 X Cl 21.1597 -20.3700
14 C1b C 17.5286 -18.2703
15 C7a C 18.7225 -17.5877
16 O6a O 18.7225 -16.1877
17 O7a O 19.9014 -18.2717
18 C1b C 21.0999 -17.5830
19 C1a C 22.2828 -18.2693
20 O5a O 18.7349 -21.7698
21 C1a C 17.5160 -23.8810
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 6 7 1
8 7 8 1
9 4 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 10 14 1
15 14 15 1
16 15 16 2
17 15 17 1
18 17 18 1
19 18 19 1
20 11 20 2
21 9 21 1
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