ATOM 27
1 C8x C 21.5287 -14.9944
2 C8x C 21.5287 -16.3618
3 C8x C 22.7129 -17.0455
4 C8y C 23.8972 -16.3618
5 C8y C 23.8972 -14.9944
6 C8x C 22.7129 -14.3107
7 N4x N 25.0814 -17.0455
8 C8y C 26.2655 -16.3618
9 C8y C 26.2655 -14.9944
10 C1y C 27.4498 -17.0455
11 N1y N 28.6340 -16.3618
12 C1x C 28.6340 -14.9944
13 C1x C 27.4498 -14.3107
14 C1x C 27.4498 -18.4129
15 C1y C 28.6340 -19.0967
16 C1y C 29.8182 -18.4129
17 C1x C 29.8182 -17.0455
18 C2c C 28.6340 -20.4641
19 C1b C 31.0025 -19.0967
20 C1a C 32.1867 -18.4129
21 C2b C 29.8182 -21.1478
22 C7a C 27.4498 -21.1478
23 O6a O 26.2861 -20.4757
24 O7a O 27.4498 -22.5152
25 C1a C 26.2655 -23.1989
26 O2a O 31.0354 -20.4451
27 C1a C 32.2265 -21.1330
BOND 30
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 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 15 18 1 #Up
22 16 19 1 #Down
23 19 20 1
24 18 21 2
25 18 22 1
26 22 23 2
27 22 24 1
28 24 25 1
29 21 26 1
30 26 27 1
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