ATOM 22
1 C1y C 26.3250 -19.9004
2 C1y C 28.3010 -21.2483
3 C1z C 29.0636 -20.0393
4 C1y C 29.7221 -20.9925
5 N1x N 30.3267 -20.5059
6 N1x N 31.0552 -21.3872
7 C2y C 31.6446 -20.1772
8 C1z C 25.6953 -21.1094
9 C1y C 27.1163 -20.7135
10 C1y C 27.7210 -20.3670
11 O2x O 27.1117 -19.2111
12 C1z C 27.7306 -18.0457
13 O2x O 26.3102 -18.4947
14 C1y C 29.0487 -18.5929
15 O1a O 27.7218 -16.5794 #-
16 C1b C 24.4356 -20.3745
17 O1a O 23.1775 -21.1025
18 O1a O 25.1598 -22.4673
19 O1a O 29.3403 -22.2545
20 N2a N 32.8173 -19.4983 #+
21 O1a O 30.2577 -17.7740
22 O1a O 27.9346 -19.3427
BOND 25
1 1 8 1
2 8 9 1
3 1 10 1
4 9 2 1
5 10 3 1
6 11 12 1
7 9 11 1
8 1 13 1
9 3 14 1
10 14 12 1
11 12 13 1
12 6 7 1
13 12 15 1
14 8 16 1
15 16 17 1
16 2 3 1
17 8 18 1
18 2 4 1
19 4 19 1
20 3 5 1
21 7 20 2
22 4 6 1
23 14 21 1 #Up
24 5 7 1
25 10 22 1
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