ATOM 31
1 C1x C 26.1039 -17.0476
2 C1y C 26.0805 -19.7947
3 C1x C 24.9017 -17.7177
4 C1y C 24.8900 -19.0941
5 C1x C 26.0805 -21.1711
6 C1z C 23.7079 -19.7830
7 C1x C 24.8854 -21.8530
8 C1y C 23.7020 -21.1596
9 C1x C 22.5114 -19.0882
10 C1a C 23.6962 -18.4066
11 C1x C 22.5114 -21.8471
12 C1x C 21.3219 -19.7830
13 C1y C 21.3219 -21.1596
14 N1a N 20.1197 -21.8471
15 C1a C 27.2821 -16.3674
16 C1z C 27.2885 -17.7377
17 C1y C 27.2770 -19.1233
18 C1x C 29.6764 -19.1435
19 C1y C 28.4905 -17.0551
20 C1y C 29.6808 -17.7579
21 O2x O 30.8792 -17.0812
22 C1y C 28.5057 -15.6756
23 C1y C 29.7110 -14.9991
24 C1z C 30.8880 -15.6997
25 C1x C 32.0884 -15.0276
26 C1y C 32.0348 -13.6549
27 C1x C 30.9209 -12.9541
28 N1x N 29.6576 -13.6262
29 C1a C 27.3299 -14.9772
30 C1a C 33.2964 -12.9836
31 O1a O 32.1671 -16.4288
BOND 36
1 8 11 1
2 9 12 1
3 11 13 1
4 13 14 1 #Up
5 3 4 1
6 7 8 1
7 16 17 1
8 18 20 1
9 19 16 1
10 17 18 1
11 12 13 1
12 19 20 1
13 20 21 1
14 21 24 1
15 23 22 1
16 22 19 1
17 16 15 1 #Up
18 16 1 1
19 17 2 1
20 1 3 1
21 2 4 1
22 23 24 1
23 24 25 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 23 1
28 2 5 1
29 4 6 1
30 5 7 1
31 22 29 1 #Down
32 6 8 1
33 6 9 1
34 26 30 1 #Down
35 6 10 1 #Up
36 24 31 1 #Up
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