ATOM 20
1 C1z C 37.0613 -18.2772
2 C2y C 38.0900 -19.7269
3 N1y N 38.0900 -17.3945
4 C2y C 35.9097 -17.5758
5 C1x C 35.8863 -19.9021
6 C2y C 39.4523 -19.7269
7 C1x C 37.4120 -20.9077
8 C1x C 37.5640 -16.1494
9 C1x C 39.4345 -17.3887
10 C1x C 36.2136 -16.2663
11 C2x C 34.5593 -17.5697
12 C1y C 34.5418 -19.9082
13 C1x C 40.1184 -18.5578
14 C1x C 40.1361 -20.9077
15 C7x C 38.0900 -22.0826
16 C1x C 33.8754 -18.7332
17 O2a O 33.8635 -21.0773
18 O7x O 39.4523 -22.0887
19 O6a O 37.4180 -23.2517
20 C1a C 32.5135 -21.0773
BOND 23
1 1 2 1 #Down
2 1 3 1 #Up
3 1 4 1
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 11 16 1
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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