ATOM 22
1 C1a C 15.4829 -22.4122
2 C1b C 16.6957 -21.7070
3 N1c N 17.9085 -22.4122
4 C1b C 19.1214 -21.7070
5 C1d C 20.3342 -22.4122
6 C1b C 21.5399 -21.7070
7 O7a O 22.7528 -22.4122
8 C7a C 24.1490 -22.4122
9 C1c C 24.8471 -21.1993
10 C8y C 26.2432 -21.1993
11 O6a O 24.8560 -23.6201
12 C1b C 24.1400 -19.9842
13 O1a O 24.8432 -18.7669
14 C8x C 26.9378 -22.4093
15 C8x C 28.3339 -22.4093
16 C8x C 29.0356 -21.1993
17 C8x C 28.3339 -19.9893
18 C8x C 26.9378 -19.9893
19 C1b C 17.9085 -23.8153
20 C1a C 16.6924 -24.5133
21 C1a C 19.6342 -23.6246
22 C1a C 21.0342 -23.6246
BOND 22
1 2 3 1
2 8 11 2
3 5 6 1
4 9 12 1
5 1 2 1
6 12 13 1
7 6 7 1
8 3 4 1
9 7 8 1
10 8 9 1
11 10 14 2
12 14 15 1
13 15 16 2
14 16 17 1
15 17 18 2
16 18 10 1
17 4 5 1
18 3 19 1
19 9 10 1
20 19 20 1
21 5 21 1
22 5 22 1
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