ATOM 22
1 N1x N 32.3742 -25.5344
2 C1x C 33.5838 -24.8306
3 C1x C 33.5838 -23.4302
4 C1x C 32.3742 -22.7335
5 C1y C 31.1646 -24.8306
6 C1y C 31.1614 -23.4299
7 O2x O 29.8276 -23.0020
8 C1z C 29.0041 -24.1387
9 C1x C 29.8330 -25.2714
10 C8x C 21.7418 -24.1247
11 C8x C 21.7418 -25.5251
12 C8x C 22.9585 -26.2218
13 C8x C 22.9585 -23.4209
14 C8y C 24.1610 -24.1247
15 C8y C 24.1551 -25.5251
16 N5x N 25.3657 -26.2268
17 C8x C 26.5824 -25.5354
18 N4y N 26.5885 -24.1350
19 C8y C 25.3777 -23.4261
20 C1b C 27.7939 -23.4351
21 O5x O 25.3661 -22.0206
22 O1a O 28.2934 -25.3491
BOND 25
1 10 11 1
2 11 12 2
3 12 15 1
4 14 13 1
5 13 10 2
6 2 3 1
7 3 4 1
8 5 6 1
9 6 7 1
10 7 8 1
11 8 9 1
12 14 15 2
13 15 16 1
14 16 17 2
15 17 18 1
16 18 19 1
17 19 14 1
18 9 5 1
19 18 20 1
20 20 8 1
21 4 6 1
22 19 21 2
23 8 22 1 #Either
24 5 1 1
25 1 2 1
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