ATOM 19
1 C1x C 25.0272 -16.7604
2 C1x C 25.0272 -18.1605
3 C1x C 27.4509 -16.7604
4 C1x C 26.2426 -16.0604
5 C8y C 27.4509 -18.1605
6 C8y C 26.2392 -18.8546
7 C8y C 26.2345 -20.2511
8 C8x C 27.4414 -20.9534
9 C8y C 28.6579 -18.8629
10 C8y C 28.6492 -20.2688
11 C2y C 29.9838 -20.7116
12 C5x C 30.8169 -19.5791
13 N1x N 29.9977 -18.4366
14 N2b N 30.4083 -22.0456
15 O5x O 32.2170 -19.5876
16 N2b N 25.0195 -20.9469
17 O1b O 29.4652 -23.0803
18 O3a O 25.0148 -22.3470
19 O3a O 23.8095 -20.2428
BOND 21
1 3 4 1
2 4 1 1
3 1 2 1
4 2 6 1
5 9 10 2
6 10 11 1
7 11 12 1
8 12 13 1
9 13 9 1
10 5 3 1
11 11 14 2
12 5 6 2
13 12 15 2
14 6 7 1
15 7 16 1
16 7 8 2
17 14 17 1
18 8 10 1
19 16 18 2
20 9 5 1
21 16 19 2
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