ATOM 23
1 C8x C 23.2014 -17.8996
2 C8x C 23.2014 -19.2385
3 C8x C 24.3993 -19.9431
4 C8y C 25.5973 -19.2385
5 C8y C 25.5973 -17.8996
6 C8y C 24.3993 -17.1949
7 C8y C 26.7247 -17.1949
8 C1y C 26.7247 -15.7856
9 C1y C 25.5973 -15.1514
10 C1z C 24.3993 -15.7856
11 C1y C 27.9227 -15.1514
12 C1z C 27.9227 -13.7420
13 C1x C 26.7247 -13.1078
14 C1x C 25.5973 -13.7420
15 C1a C 23.6946 -14.6581
16 C1a C 22.9900 -15.7856
17 C2b C 29.1206 -13.1078
18 C2a C 30.3186 -13.7420
19 C1a C 27.9227 -12.4032
20 N3a N 29.1206 -15.7856 #+
21 C3a C 30.3186 -16.6312 #-
22 N4x N 27.9227 -19.2385
23 C8x C 27.9227 -17.8996
BOND 26
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 6 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 10 15 1
18 10 16 1
19 12 17 1 #Down
20 17 18 2
21 12 19 1 #Up
22 11 20 1 #Down
23 20 21 3
24 4 22 1
25 22 23 1
26 23 7 2
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