ATOM 20
1 C1z C 38.1560 -10.1182
2 C2y C 39.1850 -11.5682
3 N1y N 39.1792 -9.2353
4 C2y C 37.0042 -9.3466
5 C1x C 36.9808 -11.7436
6 C1y C 40.5474 -11.5682
7 C2x C 38.5068 -12.7492
8 C1x C 38.6589 -7.9899
9 C1x C 40.5297 -9.2296
10 C2x C 37.3082 -8.1069
11 C2x C 35.6536 -9.4106
12 C1y C 35.6360 -11.7495
13 C1x C 41.2139 -10.3988
14 C1x C 41.2314 -12.7492
15 C7x C 39.1850 -13.9244
16 C2x C 34.9695 -10.5743
17 O2a O 34.9578 -12.9188
18 O7x O 40.5474 -13.9303
19 O6a O 38.5127 -15.0938
20 C1a C 33.6073 -12.9188
BOND 23
1 1 2 1 #Down
2 1 3 1 #Up
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 1
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 11 16 2
16 12 17 1 #Up
17 14 18 1
18 15 19 2
19 17 20 1
20 8 10 1
21 9 13 1
22 12 16 1
23 15 18 1
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