ATOM 21
1 C2x C 22.3057 -18.3177
2 C8y C 21.4613 -17.2050
3 C8y C 21.7974 -15.8445
4 C2y C 23.0619 -15.2648
5 C2x C 23.7154 -18.3430
6 C8y C 24.3189 -15.8888
7 C8y C 24.6062 -17.2613
8 C8x C 20.7875 -14.8734
9 C8x C 19.4418 -15.2626
10 C8x C 19.1057 -16.6231
11 C8x C 20.1156 -17.5939
12 C8x C 25.9410 -17.6996
13 C8x C 26.9881 -16.7626
14 C8x C 26.7010 -15.3901
15 C8x C 25.3659 -14.9518
16 C2b C 23.0136 -13.8861
17 C1b C 24.2410 -13.2031
18 C1b C 25.4126 -13.9045
19 N1c N 26.6381 -13.2226
20 C1a C 27.8762 -13.9632
21 C1a C 26.6602 -11.8505
BOND 23
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 2
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 19 21 1
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