ATOM 20
1 C8x C 12.9500 -17.7100
2 C8x C 12.9500 -19.1100
3 C8x C 14.1624 -19.8100
4 C8y C 15.3749 -19.1100
5 C8y C 15.3749 -17.7100
6 C8x C 14.1624 -17.0100
7 X Cl 16.6060 -19.8210
8 C2c C 16.6124 -17.0100
9 N2b N 17.8249 -17.7100
10 O2b O 19.0373 -17.0100
11 C3b C 16.6185 -15.6103
12 N3a N 17.8125 -14.9277
13 P1a P 20.4373 -17.0100
14 O2b O 21.8373 -17.0100
15 S0 S 20.4373 -15.6100
16 O2b O 20.4373 -18.4100
17 C1b C 22.5380 -18.2236
18 C1a C 23.9398 -18.2236
19 C1b C 21.6518 -19.1112
20 C1a C 21.6518 -20.5112
BOND 20
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 4 7 1
8 5 8 1
9 8 9 2
10 9 10 1
11 8 11 1
12 11 12 3
13 10 13 1
14 13 14 1
15 13 15 2
16 13 16 1
17 14 17 1
18 17 18 1
19 16 19 1
20 19 20 1
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