ATOM 22
1 C8x C 23.1211 -17.8252
2 C8y C 23.1211 -19.2313
3 C8x C 24.3387 -19.9343
4 C8x C 25.5564 -19.2313
5 C8y C 25.5564 -17.8252
6 C8x C 24.3387 -17.1222
7 S4a S 26.7928 -17.1112
8 N1b N 28.0032 -17.8099
9 C5a C 21.9034 -19.9343
10 C1a C 20.7028 -19.2409
11 O5a O 21.9033 -21.3401
12 C5a C 29.1906 -17.1241
13 N1b N 30.3897 -17.8164
14 O5a O 29.1906 -15.7164
15 C1y C 31.5828 -17.1274
16 C1x C 32.7790 -17.8181
17 C1x C 33.9967 -17.1151
18 C1x C 33.9967 -15.7091
19 C1x C 32.8005 -15.0184
20 C1x C 31.5829 -15.7214
21 O3c O 27.7871 -16.1169
22 O3c O 25.7987 -16.1169
BOND 23
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 5 7 1
8 7 8 1
9 2 9 1
10 9 10 1
11 9 11 2
12 8 12 1
13 12 13 1
14 12 14 2
15 13 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 15 20 1
22 7 21 2
23 7 22 2
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