ATOM 21
1 C1y C 19.8836 -19.0225
2 N4y N 20.9825 -17.1182
3 O2x O 18.7783 -18.2358
4 C1x C 19.4653 -20.3212
5 C8y C 19.8086 -16.4250
6 C8x C 22.1751 -16.4250
7 C1y C 17.6857 -19.0225
8 C1y C 18.0978 -20.3212
9 N4x N 19.8086 -15.0514
10 O5x O 18.6286 -17.0993
11 C8y C 22.1751 -15.0514
12 C1b C 16.3932 -18.5979
13 O1a O 17.2924 -21.4202
14 C8y C 20.9825 -14.3707
15 X F 23.3490 -14.3707
16 O2b O 15.3817 -19.5033
17 O5x O 20.9825 -13.0159
18 P1b P 14.0205 -19.5033
19 O1c O 12.6655 -19.5033
20 O1c O 14.0267 -18.1422
21 O1c O 14.0205 -20.8583
BOND 22
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 7 8 1
22 11 14 1
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