ATOM 21
1 C8y C 30.7063 -16.6135
2 C8x C 31.9192 -17.3131
3 C8x C 30.7004 -15.2080
4 N2b N 29.4875 -17.3190
5 C8x C 33.1321 -16.6135
6 C8x C 31.9133 -14.5082
7 N2b N 28.2744 -16.6135
8 C8y C 33.1321 -15.2080
9 C8y C 27.0615 -17.3190
10 S4a S 34.3392 -14.5082
11 C8x C 27.0615 -18.7186
12 C8x C 25.8544 -16.6135
13 O1d O 35.6048 -13.5227
14 O1d O 35.5464 -15.2022
15 O1d O 34.3392 -13.1145
16 C8x C 25.8544 -19.4184
17 C8x C 24.6356 -17.3190
18 C8y C 24.6356 -18.7186
19 C6a C 23.4284 -19.4184
20 O6a O 22.2155 -18.7244
21 O6a O 23.4284 -20.8121
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 2
7 5 8 2
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 2
12 10 13 1
13 10 14 2
14 10 15 2
15 11 16 2
16 12 17 1
17 16 18 1
18 18 19 1
19 19 20 1
20 19 21 2
21 6 8 1
22 17 18 2
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