ATOM 26
1 C1y C 24.2516 -13.0825
2 C8y C 23.0418 -13.7789
3 C1y C 25.4685 -13.8050
4 C1y C 24.2052 -11.6897
5 C8y C 23.0156 -15.1740
6 C8x C 21.8273 -13.0588
7 C8y C 26.6784 -13.1205
8 N1y N 25.4566 -15.2096
9 C1x C 25.4946 -11.0051
10 C1x C 24.2325 -15.8965
11 C8x C 20.6055 -13.7670
12 C8y C 26.7019 -11.7182
13 C8x C 27.8715 -13.8311
14 C1a C 26.6735 -15.9085
15 C8x C 27.9096 -11.0431
16 C8y C 29.0885 -13.1371
17 C8y C 29.1121 -11.7419
18 O2x O 30.4028 -13.5936
19 O2x O 30.4410 -11.3427
20 C1x C 31.2442 -12.4788
21 C8y C 21.8019 -15.8882
22 C8y C 20.5937 -15.1716
23 O2x O 19.5387 -16.0992
24 C1x C 20.0951 -17.3890
25 O2x O 21.4937 -17.2586
26 O1a O 23.0743 -10.9729
BOND 31
1 3 8 1
2 4 9 1
3 5 21 1
4 5 10 1
5 6 11 2
6 7 12 2
7 7 13 1
8 8 14 1
9 12 15 1
10 13 16 2
11 15 17 2
12 16 18 1
13 17 19 1
14 18 20 1
15 8 10 1
16 9 12 1
17 11 22 1
18 16 17 1
19 19 20 1
20 1 2 1
21 1 3 1
22 1 4 1
23 2 5 2
24 21 22 2
25 22 23 1
26 23 24 1
27 24 25 1
28 25 21 1
29 4 26 1 #Up
30 2 6 1
31 3 7 1
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