ATOM 14
1 C1a C 16.3100 -18.1300
2 N1c N 17.6400 -19.0400 #+
3 C1b C 19.1100 -17.9200
4 C1b C 20.3000 -18.6200
5 C1b C 21.4900 -17.9200
6 N1b N 22.7500 -18.6200
7 C7a C 23.9400 -17.9200
8 O7a O 25.1300 -18.6200
9 C1b C 26.3900 -17.9200
10 C1a C 17.6400 -20.4400
11 O6a O 23.9400 -16.5200
12 C1b C 27.5800 -18.6200
13 C1a C 28.7700 -17.9200
14 X Cl 16.5200 -15.4700 #-
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 2 10 1
10 7 11 2
11 9 12 1
12 12 13 1
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