ATOM 26
1 C1y C 25.6841 -15.5925
2 C2y C 24.4825 -14.8986
3 C2y C 26.9031 -14.8986
4 C8y C 25.6782 -16.9923
5 C2y C 24.4825 -13.4930
6 C7a C 23.2752 -15.5868
7 C2y C 26.9031 -13.4930
8 C7a C 28.1161 -15.5925
9 C8x C 24.4651 -17.6981
10 C8x C 26.8914 -17.6981
11 N1x N 25.6841 -12.7931
12 C1a C 23.2752 -12.7815
13 O7a O 22.0622 -14.8926
14 O6a O 23.2812 -16.9923
15 C1a C 28.1221 -12.7931
16 O7a O 29.3294 -14.8986
17 O6a O 28.1221 -16.9982
18 C8y C 24.4651 -19.0979
19 C8x C 26.8914 -19.1037
20 C1b C 20.8491 -15.5809
21 C1a C 30.5424 -15.5925
22 C8x C 25.6724 -19.7977
23 N2b N 23.2578 -19.7977 #+
24 C1a C 19.6359 -14.8811
25 O3a O 22.0447 -19.0920
26 O3a O 23.2695 -21.1974 #-
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 2
14 7 15 1
15 8 16 1
16 8 17 2
17 9 18 2
18 10 19 1
19 13 20 1
20 16 21 1
21 18 22 1
22 18 23 1
23 20 24 1
24 23 25 2
25 23 26 1
26 7 11 1
27 19 22 2
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