ATOM 21
1 C1b C 24.3876 -22.7088
2 C1c C 25.6017 -22.0078
3 C1b C 26.8159 -22.7088
4 C1b C 28.0300 -22.0078
5 C1b C 29.2441 -22.7088
6 N1b N 30.4583 -22.0078
7 C2c C 31.6724 -22.7088
8 N1a N 32.8865 -22.0078
9 N2a N 31.6724 -24.1108
10 N1b N 25.6017 -20.6061
11 S4a S 25.6017 -19.2041
12 O3c O 27.0037 -19.2041
13 O3c O 24.1998 -19.2041
14 C8y C 25.6017 -17.8022
15 C8x C 26.7990 -17.1107
16 C8x C 26.7988 -15.7088
17 C8y C 25.5846 -15.0080
18 C8x C 24.3873 -15.6993
19 C8x C 24.3875 -17.1013
20 X Cl 23.1736 -22.0078
21 C1a C 25.5152 -13.5804
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 7 9 2
9 2 10 1 #Up
10 10 11 1
11 11 12 2
12 11 13 2
13 11 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 14 19 1
20 1 20 1
21 17 21 1
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