ATOM 22
1 C8y C 25.6044 -20.2427
2 C8x C 25.6113 -18.8416
3 C8x C 24.4006 -18.1385
4 C8y C 23.1829 -18.8294
5 C8x C 23.1758 -20.2305
6 C8y C 24.3864 -20.9406
7 C8y C 30.4481 -20.2356
8 C8y C 30.4481 -18.8345
9 C8x C 29.2310 -18.1375
10 C8x C 28.0209 -18.8345
11 C8y C 28.0209 -20.2356
12 C8x C 29.2310 -20.9397
13 O2a O 26.8152 -20.9397
14 X Cl 24.3795 -22.3417
15 X F 21.9720 -18.1263
16 C7a C 31.6521 -20.9397
17 O7a O 32.8631 -20.2356
18 C1a C 34.0782 -20.9382
19 O6a O 31.6521 -22.3407
20 N2b N 31.6551 -18.1370 #+
21 O3a O 32.8697 -18.8333
22 O3a O 31.6615 -16.7430 #-
BOND 23
1 11 12 2
2 12 7 1
3 6 1 1
4 11 13 1
5 13 1 1
6 6 14 1
7 1 2 2
8 4 15 1
9 2 3 1
10 7 16 1
11 3 4 2
12 16 17 1
13 4 5 1
14 17 18 1
15 5 6 2
16 16 19 2
17 7 8 2
18 8 20 1
19 8 9 1
20 20 21 2
21 9 10 2
22 20 22 1
23 10 11 1
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