ATOM 20
1 C8x C 33.0286 -21.4699
2 C8x C 33.0286 -22.8690
3 C8x C 34.2402 -23.5686
4 C8y C 35.4519 -22.8690
5 C8y C 35.4519 -21.4699
6 C8x C 34.2402 -20.7704
7 N4y N 36.7825 -23.3013
8 C8y C 37.5349 -22.1695
9 C8y C 36.7825 -21.0376
10 C8y C 38.9962 -22.1632
11 N5x N 39.6352 -20.8151
12 C8x C 38.8828 -19.8230
13 C8x C 37.4215 -19.7594
14 C8y C 37.4914 -24.5795
15 C8y C 38.8129 -24.5158
16 C8y C 39.6352 -23.3840
17 O5x O 36.5490 -25.6839
18 O2a O 41.0032 -23.3439
19 O1a O 39.4961 -25.7808
20 C1a C 41.7446 -24.5452
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 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 9 13 1
16 7 14 1
17 14 15 1
18 15 16 2
19 16 10 1
20 14 17 2
21 16 18 1
22 15 19 1
23 18 20 1
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