ATOM 16
1 C8y C 29.0500 -18.0600
2 C8y C 29.0500 -16.6600
3 C8y C 27.7900 -18.8300
4 N5x N 30.1000 -19.0400
5 N1b N 30.2400 -15.9600
6 C8y C 27.7900 -15.9600
7 C8x C 26.6000 -18.0600
8 N5x N 28.1400 -20.1600
9 S2x S 29.5400 -20.3000
10 C2y C 31.4300 -16.7300
11 C8x C 26.6000 -16.6600
12 X Cl 27.7900 -14.5600
13 N1x N 32.7600 -16.2400
14 N2x N 31.4300 -18.1300
15 C1x C 33.6000 -17.3600
16 C1x C 32.8300 -18.4800
BOND 18
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 10 13 1
13 10 14 2
14 13 15 1
15 14 16 1
16 7 11 2
17 8 9 1
18 15 16 1
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