ATOM 22
1 N1y N 26.3738 -19.5341
2 C1y C 26.3738 -20.9364
3 C1y C 25.1701 -18.8212
4 C1x C 27.5833 -18.8387
5 C1x C 25.1701 -21.6316
6 C1c C 27.5833 -21.6259
7 C2x C 23.9489 -19.5282
8 C1x C 25.1760 -17.4247
9 C1x C 28.7869 -19.5575
10 C2x C 23.9489 -20.9364
11 C1b C 27.5833 -23.0223
12 O1a O 28.7986 -20.9188
13 C5x C 26.3855 -16.7294
14 C1x C 30.0021 -18.8680
15 C1a C 28.7986 -23.7292
16 N1x N 27.6008 -17.4364
17 O5x O 26.3738 -15.3214
18 N1x N 31.3519 -19.2594
19 C1x C 28.8219 -16.7528
20 C1x C 32.1466 -18.0908
21 C1x C 29.9555 -17.4597
22 C1x C 31.2760 -16.9807
BOND 23
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 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1 #Up
12 8 13 1
13 9 14 1
14 11 15 1
15 13 16 1
16 13 17 2
17 14 18 1
18 16 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 7 10 2
23 21 22 1
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