ATOM 27
1 C1z C 18.5372 -14.9767
2 C1y C 19.3009 -16.0427
3 C1y C 19.1510 -13.7789
4 C8y C 17.2789 -15.3777
5 C1x C 17.1415 -14.3283
6 C1y C 20.6141 -16.0617
7 N1y N 18.5262 -17.1031
8 N1y N 18.3173 -12.5674
9 C1x C 20.4588 -13.7925
10 C8y C 17.2733 -16.6965
11 C8x C 16.1469 -14.7185
12 C1x C 16.9986 -12.7074
13 C1y C 21.1525 -14.7239
14 C1y C 21.2185 -17.0921
15 C5x C 19.0536 -18.3009
16 C1x C 21.7625 -13.2459
17 C8x C 16.1469 -17.3504
18 C8y C 15.0041 -15.3777
19 C2y C 22.4273 -14.3943
20 C1x C 20.3558 -18.4382
21 O2x O 22.5042 -17.3448
22 O5x O 18.2789 -19.3613
23 C8x C 15.0041 -16.6910
24 C2x C 23.4769 -15.1800
25 C1x C 23.5097 -16.4931
26 O2a O 13.7838 -14.6726
27 C1a C 12.5641 -15.3761
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1 #Up
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1
16 10 17 2
17 11 18 1
18 13 19 1
19 14 20 1
20 14 21 1
21 15 22 2
22 17 23 1
23 19 24 2
24 21 25 1
25 7 10 1
26 8 12 1
27 9 13 1
28 15 20 1
29 16 19 1
30 18 23 2
31 24 25 1
32 18 26 1
33 26 27 1
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