ATOM 22
1 C8y C 32.5500 -17.3600
2 C8x C 32.5500 -18.7600
3 C8x C 31.3600 -19.4600
4 C8x C 30.1700 -18.7600
5 C8y C 30.1700 -17.3600
6 C8y C 31.3600 -16.6600
7 X Cl 33.8100 -16.6600
8 C6a C 31.3600 -15.2600
9 O6a O 32.5500 -14.5600 #-
10 O6a O 30.1700 -14.5600
11 S2a S 28.9100 -16.6600
12 C8y C 27.7200 -17.3600
13 N5x N 27.7200 -18.7600
14 C8y C 26.5300 -19.4600
15 C8x C 25.2700 -18.7600
16 C8y C 25.2700 -17.2900
17 N5x N 26.5300 -16.6600
18 O2a O 24.0800 -16.6600
19 C1a C 22.8900 -17.3600
20 O2a O 26.5300 -20.8600
21 C1a C 25.2700 -21.5600
22 Z Na 35.0000 -14.1400 #+
BOND 22
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 1 7 1
8 6 8 1
9 8 9 1
10 8 10 2
11 5 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 16 18 1
20 18 19 1
21 14 20 1
22 20 21 1
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