ATOM 22
1 C8x C 21.5600 -18.9700
2 N5y N 21.5600 -17.5700 #+
3 C8x C 22.7500 -16.8700
4 C8x C 24.0100 -17.5700
5 C8y C 24.0100 -18.9700
6 C8x C 22.7500 -19.6700
7 C1a C 25.2000 -19.6700
8 C1b C 20.3700 -16.8700
9 C1b C 19.1800 -17.5700
10 C1b C 17.9900 -16.8700
11 C1b C 16.8000 -17.5700
12 C1b C 15.6100 -16.8700
13 C1b C 14.4200 -17.5700
14 C1b C 13.2300 -16.8700
15 C1b C 12.0400 -17.5700
16 C1b C 10.8500 -16.8700
17 C1b C 9.6600 -17.5700
18 C1b C 8.4700 -16.8700
19 C1b C 7.2800 -17.5700
20 C1b C 6.0900 -16.8700
21 C1a C 4.9000 -17.5700
22 X Cl 19.2500 -19.5300 #-
BOND 21
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 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
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