ATOM 26
1 O2x O 25.7429 -15.4621
2 C1x C 26.7945 -14.6584
3 C1y C 25.7215 -16.7966
4 C1z C 26.7519 -17.6411
5 C1x C 28.0534 -17.3603
6 C8x C 23.1949 -18.0522
7 C8y C 23.1949 -19.3764
8 C8x C 24.3423 -20.0457
9 C8x C 24.3423 -17.3902
10 C8y C 25.4895 -18.0522
11 C8y C 25.4910 -19.3775
12 N1y N 26.7556 -19.7933
13 C5x C 27.5393 -18.7195
14 O2a O 22.0467 -20.0457
15 C1a C 20.8984 -19.3764
16 O2a O 26.7520 -21.1093
17 C1a C 27.9003 -21.7715
18 O5x O 28.8653 -18.7142
19 C1y C 28.0950 -14.9715
20 C1y C 28.6448 -16.1728
21 N1x N 29.8950 -16.1612
22 C1y C 30.2277 -14.7174
23 C1y C 29.0674 -14.0665
24 C1b C 31.1546 -13.7695
25 C1a C 32.4366 -14.1147
26 C1x C 29.0554 -15.3965
BOND 30
1 12 13 1
2 4 13 1 #Up
3 4 10 1 #Down
4 1 3 1
5 7 14 1
6 1 2 1
7 14 15 1
8 3 4 1
9 12 16 1
10 6 7 1
11 16 17 1
12 7 8 2
13 13 18 2
14 8 11 1
15 10 9 1
16 9 6 2
17 2 19 1
18 20 5 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 19 1
24 4 5 1
25 22 24 1 #Up
26 24 25 1
27 10 11 2
28 23 26 1 #Up
29 3 26 1 #Up
30 11 12 1
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