ATOM 20
1 C1y C 22.4512 -14.7698
2 C1c C 22.4571 -16.1745
3 C5x C 23.6635 -14.0587
4 C1x C 21.2331 -14.0704
5 C1b C 21.2507 -16.8738
6 O1a O 23.6693 -16.8679
7 C1y C 23.6576 -12.6601
8 O5x O 24.8700 -14.7640
9 C1y C 21.2273 -12.6717
10 C1y C 20.0442 -16.1802
11 C1x C 22.4395 -11.9664
12 C1a C 24.8583 -11.9548
13 C1a C 20.0092 -11.9664
14 C1x C 18.8318 -16.8738
15 C1x C 20.0442 -14.7757
16 C5x C 17.6197 -16.1802
17 C5x C 18.8318 -14.0704
18 N1x N 17.6197 -14.7757
19 O5x O 16.4015 -16.8679
20 O5x O 18.8202 -12.6717
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 7 11 1
11 7 12 1 #Down
12 9 13 1 #Up
13 10 14 1
14 10 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 16 19 2
19 17 20 2
20 9 11 1
21 17 18 1
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