ATOM 16
1 C8y C 31.5856 -16.4700
2 C8y C 31.5856 -17.8631
3 C8y C 30.3672 -15.7645
4 N1b N 32.7980 -15.7645
5 N5x N 30.3672 -18.5626
6 O2a O 32.7922 -18.5626
7 N5x N 29.1489 -16.4700
8 X Cl 30.3613 -14.3597
9 C2y C 34.0163 -16.4700
10 C8y C 29.1546 -17.8748
11 C1a C 32.7922 -19.9558
12 N1x N 35.3427 -16.0385
13 N2x N 34.0149 -17.8757
14 C1a C 27.9539 -18.5800
15 C1x C 36.1631 -17.1670
16 C1x C 35.3479 -18.3011
BOND 17
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 9 12 1
12 9 13 2
13 10 14 1
14 12 15 1
15 13 16 1
16 7 10 2
17 15 16 1
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