ATOM 20
1 C1x C 26.0058 -17.5314
2 C8y C 25.1622 -16.4197
3 C8y C 25.4980 -15.0604
4 N1y N 26.7613 -14.4812
5 C1x C 27.4143 -17.5566
6 C8y C 28.0172 -15.1047
7 C8y C 28.3043 -16.4759
8 C8x C 24.4890 -14.0902
9 C8x C 23.1445 -14.4790
10 C8x C 22.8087 -15.8383
11 C8x C 23.8177 -16.8082
12 C8x C 29.6379 -16.9138
13 C8x C 30.6841 -15.9777
14 C8x C 30.3972 -14.6065
15 C8x C 29.0633 -14.1685
16 C1b C 26.7130 -13.1038
17 C1b C 27.9394 -12.4214
18 C1b C 29.1098 -13.1221
19 N1b N 30.3343 -12.4409
20 C1a C 31.5713 -13.1808
BOND 22
1 3 4 1
2 1 5 1
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 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
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