ATOM 18
1 C1x C 24.2588 -19.1161
2 C1x C 24.2588 -20.5179
3 C1x C 25.4767 -21.2224
4 N1y N 26.6815 -20.5179
5 C1x C 27.8936 -21.2275
6 C1x C 29.1116 -20.5282
7 C1x C 29.1175 -19.1264
8 C1y C 25.4767 -18.4187
9 C1y C 26.6846 -19.1212
10 C1y C 27.9004 -18.4326
11 C1x C 25.4847 -17.0203
12 N1y N 26.7005 -16.3248
13 C1y C 27.9049 -17.0329
14 C1x C 29.1178 -16.3397
15 C1x C 29.1263 -14.9452
16 C1x C 27.9220 -14.2439
17 C5x C 26.6391 -14.9301
18 O5x O 25.4845 -14.2272
BOND 21
1 9 10 1
2 10 13 1
3 12 11 1
4 11 8 1
5 3 4 1
6 9 4 1
7 4 5 1
8 5 6 1
9 6 7 1
10 7 10 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 17 1
16 17 12 1
17 8 1 1
18 17 18 2
19 1 2 1
20 2 3 1
21 8 9 1
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