ATOM 21
1 C1z C 24.4859 -16.4987
2 C8y C 24.4801 -15.1930
3 C1y C 25.6056 -17.1673
4 C1y C 23.3358 -17.1497
5 C1x C 25.6056 -15.8313
6 C8y C 23.3358 -14.5432
7 C8y C 25.6114 -14.5432
8 C1y C 26.7499 -16.5104
9 C1x C 25.5997 -18.4729
10 O2x O 22.0360 -15.7565
11 C1y C 23.3298 -18.4554
12 C1x C 27.8756 -15.8547
13 C8y C 23.3358 -13.2190
14 C1x C 26.7557 -15.1989
15 C8x C 25.6114 -13.2190
16 N1y N 27.8873 -17.1790
17 C1x C 24.4625 -19.1169
18 O1a O 22.1869 -19.1110
19 C8x C 24.4859 -12.5631
20 O1a O 22.1985 -12.5631
21 C1a C 29.1590 -16.8306
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 11 18 1 #Down
18 13 19 2
19 13 20 1
20 16 21 1
21 6 10 1
22 8 14 1
23 11 17 1
24 12 16 1
25 15 19 1
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