ATOM 27
1 C2b C 23.5195 -16.6740
2 C2b C 22.3061 -15.9482
3 C8y C 21.1739 -16.6913
4 O2x O 20.7327 -18.0383
5 C8x C 20.0242 -15.8611
6 C8y C 19.3277 -18.0383
7 C8x C 18.8864 -16.6913
8 N2b N 18.4973 -19.1821 #+
9 O3a O 17.0981 -19.0312
10 O3a O 19.0721 -20.4653 #-
11 C2c C 24.7324 -15.9600
12 C2b C 25.9449 -16.6600
13 C2b C 27.1573 -15.9600
14 C8y C 28.3697 -16.6600
15 N2b N 24.7265 -14.5601
16 C8x C 28.5158 -18.0501
17 C8x C 29.8831 -18.3408
18 C8y C 30.5820 -17.1303
19 O2x O 29.6467 -16.0915
20 N2b N 31.9800 -16.9133 #+
21 O3a O 32.8192 -18.1380
22 O3a O 32.5413 -15.7231 #-
23 N1b N 25.9000 -13.8600
24 C2c C 25.9000 -12.4600
25 N1a N 27.1124 -11.7600
26 N2a N 24.6876 -11.7600
27 X Cl 32.9700 -11.9000
BOND 27
1 1 2 2
2 2 3 1
3 3 4 1
4 3 5 2
5 4 6 1
6 5 7 1
7 6 8 1
8 8 9 2
9 8 10 1
10 6 7 2
11 1 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 11 15 2
16 14 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 14 19 1
21 18 20 1
22 20 21 2
23 20 22 1
24 15 23 1
25 23 24 1
26 24 25 1
27 24 26 2
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