ATOM 17
1 C8x C 15.3300 -18.4100
2 C8x C 15.3300 -19.8100
3 C8x C 16.5424 -20.5100
4 C8y C 17.7549 -19.8100
5 C8y C 17.7549 -18.4100
6 C8y C 16.5424 -17.7100
7 C1a C 18.9860 -20.5210
8 C1a C 16.5424 -16.3102
9 N1c N 18.9924 -17.7100
10 C5a C 20.2049 -18.4100
11 C1b C 18.9986 -16.3103
12 O5a O 21.4360 -17.6990
13 C1b C 20.1925 -15.6277
14 O2a O 21.3700 -16.3142
15 C1a C 22.5720 -15.6269
16 C1b C 20.2050 -19.8098
17 X Cl 21.4362 -20.5207
BOND 17
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 4 7 1
8 6 8 1
9 5 9 1
10 9 10 1
11 9 11 1
12 10 12 2
13 11 13 1
14 13 14 1
15 14 15 1
16 10 16 1
17 16 17 1
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