ATOM 23
1 C1z C 28.4181 -18.5600
2 C8y C 27.2857 -19.2145
3 C1y C 29.5379 -19.2203
4 C1y C 29.5670 -17.8778
5 C2x C 28.4288 -17.1477
6 C8y C 27.2857 -20.5222
7 C8x C 26.1472 -18.5659
8 N1y N 29.5379 -20.5279
9 C1x C 30.6647 -18.5717
10 C1x C 30.6938 -19.8269
11 O1a O 32.2289 -18.7058
12 C2x C 29.5379 -16.6170
13 C1y C 28.4054 -21.1694
14 C8x C 26.1588 -21.1753
15 C8y C 25.0146 -19.2262
16 C1y C 30.6647 -17.2644
17 C8y C 25.0205 -20.5222
18 O2x O 23.7830 -18.8225
19 O2a O 31.8323 -16.5879
20 O2x O 23.7888 -20.9186
21 C1x C 23.0308 -19.8734
22 C1a C 32.9939 -17.2527
23 O1a O 28.4016 -22.4698
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1 #Up
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 2
15 9 16 1
16 14 17 2
17 15 18 1
18 16 19 1 #Up
19 17 20 1
20 18 21 1
21 19 22 1
22 8 10 1 #Down
23 8 13 1
24 12 16 1
25 15 17 1
26 20 21 1
27 13 23 1
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