ATOM 27
1 C8x C 10.1840 -17.3844
2 C8x C 10.1840 -18.7864
3 C8x C 11.3982 -19.4875
4 C8x C 12.6125 -18.7864
5 C8y C 12.6125 -17.3844
6 C8x C 11.3982 -16.6833
7 C1b C 13.8518 -16.6833
8 C1b C 15.0661 -17.3844
9 C1c C 16.2803 -16.6833
10 N1b N 17.4944 -17.3844
11 C1c C 18.7087 -16.6833
12 C5a C 19.9229 -17.3844
13 N1y N 21.1370 -16.6833
14 C6a C 16.2803 -15.2813
15 C1a C 18.7087 -15.2816
16 O6a O 17.4965 -14.5791
17 O6a O 15.0681 -14.5816
18 O5a O 19.9229 -18.7864
19 C5x C 22.2639 -17.4941
20 N1y N 23.3800 -16.6714
21 C1x C 22.9425 -15.3558
22 C1y C 21.5560 -15.2954
23 O5x O 22.2727 -18.9264
24 C1a C 24.5942 -17.3725
25 O6a O 21.5393 -12.9371
26 C6a C 20.8468 -14.1560
27 O6a O 19.4376 -14.1657
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 14 1 #Up
15 11 15 1 #Up
16 14 16 2
17 14 17 1
18 12 18 2
19 13 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 13 22 1
24 19 23 2
25 20 24 1
26 25 26 1
27 22 26 1 #Down
28 26 27 2
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