ATOM 27
1 N4y N 22.3072 -15.1600
2 C8y C 23.3665 -15.8973
3 C1y C 21.0078 -15.5755
4 C8x C 22.7812 -13.7613
5 C8y C 24.6012 -14.9903
6 N5x N 23.5011 -17.3197
7 O2x O 19.8724 -14.7269
8 C1y C 20.5807 -16.8280
9 N5x N 24.2268 -13.7672
10 C8y C 25.8596 -15.5463
11 C8x C 24.8295 -17.9108
12 C1y C 18.7662 -15.5169
13 C1y C 19.1995 -16.8280
14 O1a O 20.9903 -18.1623
15 N5x N 26.0176 -17.0328
16 N1a N 26.9656 -14.7210
17 C1b C 17.4671 -15.1073
18 O1a O 18.7487 -18.1565
19 S0 S 16.3551 -15.9441 #+
20 C1b C 15.1377 -15.2418
21 C1a C 16.3671 -17.6871
22 C1b C 13.9263 -15.9383
23 C1c C 12.7205 -15.2418
24 C6a C 11.5092 -15.9383
25 N1a N 12.7205 -13.8375
26 O6a O 10.2978 -15.2418 #-
27 O6a O 11.5092 -17.3371
BOND 29
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 19 21 1 #Down
21 20 22 1
22 22 23 1
23 23 24 1
24 23 25 1 #Up
25 24 26 1
26 24 27 2
27 5 9 1
28 11 15 1
29 12 13 1
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