ATOM 20
1 C1z C 25.1889 -16.4938
2 C8y C 25.1832 -15.1918
3 C1y C 26.3127 -17.1605
4 C1y C 24.0490 -17.1429
5 C1x C 26.3127 -15.8282
6 C8y C 24.0490 -14.5437
7 C8y C 26.3184 -14.5437
8 C1y C 27.4467 -16.5054
9 C2x C 26.3068 -18.4625
10 O2x O 22.7459 -15.7538
11 C1y C 24.1131 -18.4450
12 C1x C 28.5762 -15.8515
13 C8y C 24.0490 -13.2231
14 C1x C 27.4525 -15.1977
15 C8x C 26.3184 -13.2231
16 N1x N 28.5879 -17.1722
17 C2x C 25.1656 -19.1047
18 O1a O 22.8962 -19.0988
19 C8x C 25.1889 -12.5692
20 O1a O 22.9078 -12.5692
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 2
17 11 18 1 #Down
18 13 19 2
19 13 20 1
20 6 10 1
21 8 14 1
22 11 17 1
23 12 16 1
24 15 19 1
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