ATOM 19
1 C1b C 28.6300 -19.1800
2 N4y N 27.1600 -19.1800
3 N5x N 26.0400 -18.3400
4 C8x C 26.7400 -20.5100
5 C8x C 24.8500 -19.1800
6 N5x N 25.3400 -20.5100
7 C8y C 28.4200 -17.5700
8 C8y C 28.4200 -16.1700
9 C8x C 27.2300 -18.2700
10 C8x C 27.2300 -15.4700
11 X Cl 29.6800 -15.4700
12 C8x C 26.0400 -17.5700
13 C8y C 26.0400 -16.1700
14 X Cl 24.8500 -15.4700
15 C1z C 29.6800 -18.2700
16 O2x O 30.1000 -19.6000
17 O2x O 30.8000 -17.4300
18 C1x C 31.5000 -19.6000
19 C1x C 31.9200 -18.2700
BOND 21
1 1 2 1
2 2 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 5 6 1
7 7 8 1
8 7 9 2
9 8 10 2
10 8 11 1
11 9 12 1
12 10 13 1
13 13 14 1
14 12 13 2
15 15 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 19 1
20 7 15 1
21 1 15 1
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