ATOM 22
1 C1y C 32.4039 -18.7173
2 C1x C 33.5944 -19.4076
3 C1x C 33.5898 -18.0251
4 C1z C 26.5382 -17.9879
5 C1y C 27.6890 -18.6794
6 C1b C 25.3514 -18.6444
7 C8y C 26.5441 -16.6320
8 C1x C 27.7065 -17.3070
9 C1y C 28.8818 -18.0171
10 C1a C 27.7415 -20.0283
11 C8x C 25.4389 -15.9523
12 C8y C 27.7182 -15.9697
13 C1x C 30.0326 -17.2662
14 N1y N 30.0442 -18.6968
15 C5x C 28.8994 -16.6553
16 C8y C 25.3805 -14.5916
17 C8x C 27.7299 -14.6092
18 C1b C 31.2254 -18.0218
19 C8x C 26.5675 -13.9166
20 C1a C 24.1747 -17.9437
21 O5x O 30.0927 -15.9833
22 O1a O 24.1990 -13.8918
BOND 25
1 3 2 1
2 4 5 1
3 4 6 1
4 4 7 1
5 4 8 1 #Up
6 5 9 1
7 5 10 1
8 7 11 1
9 7 12 2
10 8 13 1
11 9 14 1 #Up
12 9 15 1
13 11 16 2
14 12 17 1
15 14 18 1
16 16 19 1
17 12 15 1
18 14 13 1 #Up
19 17 19 2
20 18 1 1
21 6 20 1
22 1 2 1
23 15 21 2
24 1 3 1
25 16 22 1
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