ATOM 22
1 C8y C 32.2748 -19.5183
2 C8x C 33.4841 -20.2128
3 C8x C 34.6901 -19.5127
4 C8x C 34.6867 -18.1183
5 C8x C 33.4775 -17.4238
6 C8x C 32.2715 -18.1239
7 C8y C 24.9968 -19.5307
8 C5a C 26.2155 -20.2246
9 C8y C 24.9968 -18.1254
10 N5x N 23.7896 -20.2246
11 N1b N 27.4226 -19.5249
12 O5a O 26.2155 -21.6241
13 N5x N 23.7896 -17.4197
14 N1a N 26.2155 -17.4197
15 C8y C 22.5708 -19.5307
16 C2c C 28.6414 -20.2246
17 C8y C 22.5708 -18.1254
18 X Cl 21.3523 -20.2246
19 N1b N 29.8543 -19.5249
20 N2a N 28.6414 -21.6241
21 N1a N 21.3523 -17.4197
22 C1b C 31.0669 -20.2255
BOND 23
1 2 3 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 1 1
6 7 8 1
7 7 9 1
8 7 10 2
9 8 11 1
10 8 12 2
11 9 13 2
12 9 14 1
13 10 15 1
14 11 16 1
15 13 17 1
16 15 18 1
17 16 19 1
18 16 20 2
19 17 21 1
20 15 17 2
21 1 2 2
22 19 22 1
23 22 1 1
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