ATOM 34
1 C8x C 16.7919 -17.6216
2 C8y C 16.7919 -19.0235
3 C8x C 18.0098 -19.7280
4 C8x C 18.0098 -16.9242
5 C8y C 19.2207 -17.6216
6 C8y C 19.2847 -19.0235
7 N5x N 20.4266 -19.7332
8 C8x C 20.4386 -16.9295
9 C8y C 21.6506 -17.6319
10 C8y C 21.6379 -19.0303
11 C8x C 22.8435 -19.7437
12 C8y C 24.0615 -19.0521
13 C8x C 24.0741 -17.6538
14 C8x C 22.8687 -16.9474
15 N1a N 15.5804 -19.7211
16 N1a N 25.2593 -19.7562
17 C8x C 30.6825 -17.6847
18 C8y C 30.6825 -19.0866
19 C8x C 31.9004 -19.7909
20 C8x C 31.9004 -16.9802
21 C8y C 33.1113 -17.6847
22 C8y C 33.1052 -19.0866
23 N5y N 34.3170 -19.7960 #+
24 C8x C 34.3290 -16.9855
25 C8y C 35.5411 -17.6950
26 C8y C 35.5284 -19.0932
27 C8x C 36.7340 -19.8066
28 C8y C 37.9519 -19.1150
29 C8x C 37.9646 -17.7168
30 C8x C 36.7592 -17.0103
31 N1a N 29.4708 -19.7769
32 N1a N 39.1497 -19.8191
33 C1a C 34.3143 -21.1979
34 X Cl 30.9639 -23.0810 #-
BOND 37
1 12 13 1
2 13 14 2
3 14 9 1
4 2 15 1
5 1 2 2
6 12 16 1
7 5 6 1
8 6 7 1
9 7 10 2
10 9 8 2
11 8 5 1
12 2 3 1
13 3 6 2
14 5 4 2
15 4 1 1
16 9 10 1
17 10 11 1
18 11 12 2
19 17 18 2
20 18 19 1
21 19 22 2
22 21 20 2
23 20 17 1
24 21 22 1
25 22 23 1
26 23 26 2
27 25 24 2
28 24 21 1
29 25 26 1
30 26 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 30 25 1
35 18 31 1
36 28 32 1
37 23 33 1
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