ATOM 21
1 C1z C 22.0907 -17.8033
2 C8y C 20.8724 -18.4968
3 C3b C 23.0815 -16.8124
4 O7x O 23.3087 -18.5085
5 C1d C 20.8724 -17.1096
6 C8y C 20.8724 -19.8957
7 C8x C 19.6776 -17.7974
8 C3b C 24.0607 -15.8216
9 C7x C 23.2970 -19.9074
10 X F 19.4676 -17.1039
11 X F 20.4935 -15.7516
12 X F 21.8457 -16.1130
13 N1x N 22.0790 -20.6069
14 C8x C 19.6776 -20.6009
15 C8y C 18.4534 -18.4968
16 C1y C 25.0457 -14.8248
17 O6a O 24.5036 -20.6126
18 C8x C 18.4534 -19.8957
19 X Cl 17.2352 -17.7974
20 C1x C 26.3922 -14.4634
21 C1x C 25.3954 -13.4783
BOND 23
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 3
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 2
15 8 16 1
16 9 17 2
17 14 18 2
18 15 19 1
19 16 20 1
20 16 21 1
21 9 13 1
22 15 18 1
23 20 21 1
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