ATOM 27
1 C1z C 19.8168 -16.8414
2 C8y C 19.8168 -15.5189
3 C1y C 21.0000 -17.5374
4 C1y C 18.7031 -17.4679
5 C1x C 21.0000 -16.2150
6 C8y C 18.7031 -14.8926
7 C8y C 21.0000 -14.8926
8 C1y C 22.1137 -16.8414
9 C1x C 21.0000 -18.7903
10 O2x O 17.3807 -16.1454
11 C2y C 18.7031 -18.7903
12 C1x C 23.2273 -16.2150
13 C8y C 18.7031 -13.5701
14 C1x C 22.1137 -15.5886
15 C8x C 21.0000 -13.5701
16 N1y N 23.2273 -17.5374
17 C1x C 19.8168 -19.4863
18 C8x C 19.8863 -12.9437
19 O2a O 17.5896 -12.9437
20 C1a C 16.4063 -13.5701
21 O2a O 16.2829 -18.7903
22 N2b N 17.4930 -19.4890
23 C1b C 15.0637 -19.4942
24 C6a C 13.8717 -18.8057
25 O6a O 12.6860 -19.4902
26 O6a O 13.8716 -17.3998
27 C1a C 24.6263 -17.5374
BOND 31
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 1
17 13 18 2
18 13 19 1
19 19 20 1
20 6 10 1
21 8 14 1
22 11 17 1
23 12 16 1
24 15 18 1
25 21 22 1
26 11 22 2
27 21 23 1
28 23 24 1
29 24 25 1
30 24 26 2
31 16 27 1
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