ATOM 20
1 C8x C 32.0107 -17.3125
2 C8y C 32.0107 -18.7142
3 C8x C 30.7929 -19.4187
4 C8x C 29.5820 -18.7142
5 C8y C 29.5820 -17.3125
6 C8x C 30.7929 -16.6151
7 O2a O 28.3757 -16.6151
8 C1c C 27.1642 -17.3054
9 C1c C 25.9525 -16.6080
10 C1d C 24.7479 -17.2983
11 C1a C 23.5362 -16.6009
12 N4y N 27.1628 -18.7154
13 C8x C 28.2964 -19.5448
14 N5x N 27.8626 -20.8776
15 C8x C 26.4607 -20.8742
16 N5x N 26.0255 -19.5397
17 X Cl 33.2295 -19.4116
18 O1a O 25.9596 -15.2061
19 C1a C 23.5433 -17.9887
20 C1a C 24.8110 -18.6931
BOND 21
1 9 10 1
2 4 5 1
3 10 11 1
4 5 6 2
5 6 1 1
6 5 7 1
7 1 2 2
8 12 13 1
9 13 14 2
10 14 15 1
11 15 16 2
12 16 12 1
13 8 12 1
14 7 8 1
15 2 17 1
16 2 3 1
17 9 18 1
18 8 9 1
19 10 19 1
20 3 4 2
21 10 20 1
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