ATOM 26
1 C8x C 12.8800 -13.7200
2 C8x C 12.8800 -15.1200
3 C8x C 14.0924 -15.8200
4 C8y C 15.3049 -15.1200
5 C8y C 15.3049 -13.7200
6 C8x C 14.0924 -13.0200
7 N4x N 16.5173 -15.8200
8 C8y C 17.7297 -15.1200
9 C8y C 17.7297 -13.7200
10 C1y C 18.9422 -15.8200
11 N1y N 20.1546 -15.1200
12 C1y C 20.1546 -13.7200
13 C1x C 18.9422 -13.0200
14 C1x C 18.9422 -17.2200
15 C1y C 20.1546 -17.9200
16 C2y C 21.3670 -17.2200
17 C1x C 21.3670 -15.8200
18 C2b C 22.5795 -17.9200
19 C1a C 22.5795 -19.3200
20 C1z C 21.3670 -13.0200
21 C4a C 20.3771 -12.0301
22 O4a O 18.9771 -12.0301
23 C7a C 22.7193 -12.6577
24 O7a O 23.7092 -13.6476
25 O6a O 23.0816 -11.3054
26 C1a C 25.0615 -13.2853
BOND 30
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 10 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 11 17 1
21 16 18 2
22 18 19 1
23 12 20 1 #Up
24 15 20 1 #Up
25 20 21 1
26 21 22 2
27 20 23 1
28 23 24 1
29 23 25 2
30 24 26 1
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