Mol:
0 0 0 0 0 0 0 0 0 0
9.5176 3.1400 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
9.5176 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 2.3550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.1580 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 2 0 0 0 0
3 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 13 2 0 0 0 0
M CHG 1 16 1
M CHG 1 18 -1
M END
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