ATOM 32
1 N1y N 17.6400 -11.3400
2 C5x C 19.0400 -11.3400
3 N1y N 19.4726 -10.0085
4 C5x C 18.3400 -9.1856
5 C1x C 17.2074 -10.0085
6 O5x O 18.3400 -7.7700
7 O5x O 19.8629 -12.4726
8 N2b N 16.8171 -12.4726
9 C2b C 15.4171 -12.4726
10 C8y C 14.7183 -13.6828
11 C1b C 21.8975 -10.0085
12 C1b C 20.6851 -9.3085
13 C1b C 24.3224 -10.0085
14 C1b C 23.1099 -9.3085
15 N1y N 25.5097 -9.3227
16 C1x C 26.6945 -10.0065
17 C1x C 27.9068 -9.3063
18 N1y N 27.9066 -7.9063
19 C1x C 26.7218 -7.2225
20 C1x C 25.5094 -7.9227
21 C1a C 29.1347 -7.1967
22 O2x O 13.3003 -13.6788
23 C8y C 12.8577 -15.0221
24 C8x C 13.9985 -15.8581
25 C8x C 15.1461 -15.0315
26 C8y C 11.4577 -15.0221
27 C8x C 10.7755 -13.8402
28 C8x C 9.3755 -13.8400
29 C8y C 8.6754 -15.0524
30 C8x C 9.3576 -16.2343
31 C8x C 10.7576 -16.2344
32 X Cl 7.2800 -15.0523
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 2
7 2 7 2
8 1 8 1
9 8 9 2
10 9 10 1
11 11 12 1
12 3 12 1
13 13 14 1
14 11 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 15 20 1
22 18 21 1
23 10 22 1
24 22 23 1
25 23 24 2
26 24 25 1
27 10 25 2
28 23 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 26 31 1
35 29 32 1
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