ATOM 29
1 C8x C 16.6600 -15.4700
2 C8y C 16.6600 -16.8700
3 C8x C 17.8724 -17.5700
4 C8x C 19.0849 -16.8700
5 C8y C 19.0849 -15.4700
6 C8x C 17.8724 -14.7700
7 C5a C 20.3224 -14.7700
8 C1b C 21.5349 -15.4700
9 C1a C 15.4476 -17.5700
10 O5a O 20.3286 -13.3703
11 O2a O 22.7660 -14.7590
12 C8y C 23.9712 -15.4546
13 N4y N 24.4026 -16.7914
14 N5x N 25.8142 -16.7924
15 C8y C 26.2514 -15.4501
16 C8y C 25.1100 -14.6196
17 C5a C 25.1076 -13.2302
18 O5a O 23.9108 -12.5418
19 C8y C 26.3356 -12.5183
20 C8x C 27.5425 -13.2123
21 C8x C 28.7537 -12.5102
22 C8y C 28.7513 -11.1102
23 C8y C 27.5444 -10.4162
24 C8y C 26.3332 -11.1183
25 C1a C 27.5417 -9.0304
26 X Cl 25.1148 -10.4176
27 X Cl 29.9677 -10.4050
28 C1a C 27.5760 -15.0209
29 C1a C 23.4439 -17.9854
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 2 9 1
10 7 10 2
11 8 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 12 16 2
18 16 17 1
19 17 18 2
20 17 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 23 25 1
28 24 26 1
29 22 27 1
30 15 28 1
31 13 29 1
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