ATOM 23
1 C8x C 13.5800 -19.1100
2 C8y C 13.5800 -20.5100
3 C8x C 14.7924 -21.2100
4 C8x C 16.0049 -20.5100
5 C8y C 16.0049 -19.1100
6 C8x C 14.7924 -18.4100
7 N2b N 12.3676 -21.2100 #+
8 O3a O 11.1721 -20.5196 #-
9 O3a O 12.3675 -22.6098
10 C1c C 17.2424 -18.4100
11 C1c C 18.4549 -19.1100
12 C1b C 19.6673 -18.4100
13 O1a O 17.2486 -17.0103
14 N1b N 18.4549 -20.5098
15 C5a C 19.6861 -21.2208
16 C1c C 20.8911 -20.5252
17 O5a O 19.6858 -22.6099
18 X Cl 22.0735 -21.2081
19 X Cl 20.8916 -19.1104
20 O7a O 19.6673 -17.0100
21 C7a C 20.8818 -16.3088
22 C1a C 22.0783 -16.9998
23 O6a O 20.8818 -14.9102
BOND 23
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 2 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 10 11 1
12 11 12 1
13 10 13 1 #Up
14 11 14 1 #Up
15 14 15 1
16 15 16 1
17 15 17 2
18 16 18 1
19 16 19 1
20 12 20 1
21 20 21 1
22 21 22 1
23 21 23 2
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