ATOM 25
1 C8x C 10.3600 -14.7000
2 C8y C 10.3600 -16.1000
3 C8x C 11.5724 -16.8000
4 C8x C 12.7849 -16.1000
5 C8y C 12.7849 -14.7000
6 C8x C 11.5724 -14.0000
7 O2a O 14.0160 -13.9890
8 S2a S 9.1476 -16.8000
9 C1b C 15.2212 -14.6847
10 C1c C 16.4035 -14.0019
11 C1c C 7.9521 -16.1096
12 C1a C 6.7647 -16.7951
13 C1a C 7.9520 -14.7003
14 C1b C 17.5975 -14.6912
15 O1a O 16.4035 -12.6002
16 N1b N 18.7854 -14.0052
17 C1b C 20.3965 -14.6929
18 C1b C 21.5859 -14.0061
19 C1b C 22.7762 -14.6934
20 C1a C 23.9661 -14.0063
21 X Cl 24.8500 -16.8700
22 C1b C 20.3965 -14.6929
23 C1b C 21.5859 -14.0061
24 C1b C 20.3965 -14.6929
25 C1b C 21.5859 -14.0061
BOND 24
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 2 8 1
9 7 9 1
10 9 10 1
11 8 11 1
12 11 12 1
13 11 13 1
14 10 14 1
15 10 15 1
16 14 16 1
17 19 20 1
18 16 17 1
19 17 18 1
20 18 22 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 19 1
BRACKET 1 19.9500 -15.7500 19.9500 -13.5800
1 21.7700 -13.5800 21.7700 -15.7500
1 3
ORIGINAL 1 17 18
REPEAT 1 22 23 24 25
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