ATOM 23
1 C1z C 28.5970 -16.3075
2 C8y C 28.5970 -14.9828
3 C1y C 29.7821 -17.0045
4 C1y C 27.4815 -16.9349
5 C1x C 29.7821 -15.6801
6 C8y C 27.4815 -14.3554
7 C8y C 29.7821 -14.3554
8 C1y C 30.8976 -16.3075
9 C2x C 29.7821 -18.2594
10 O2x O 26.1570 -15.6102
11 C1y C 27.4815 -18.2594
12 C1x C 32.0129 -15.6801
13 C8y C 27.4815 -13.0309
14 C1x C 30.8976 -15.0525
15 C8x C 29.7821 -13.0309
16 N1y N 32.0129 -17.0045
17 C2x C 28.5970 -18.9565
18 O1a O 26.3662 -18.9565
19 C8x C 28.6667 -12.4035
20 O2a O 26.3662 -12.4035
21 C1b C 25.1810 -13.0309
22 C1a C 33.4125 -17.0045
23 C1a C 24.0106 -12.2963
BOND 27
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 20 21 1
21 6 10 1
22 8 14 1
23 11 17 1
24 12 16 1
25 15 19 1
26 16 22 1
27 21 23 1
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