ATOM 28
1 C2x C 15.4700 -16.9400
2 C5x C 15.4700 -18.3400
3 C2x C 16.6824 -19.0400
4 C2y C 17.8949 -18.3400
5 C1z C 17.8949 -16.9400
6 C2x C 16.6824 -16.2400
7 C1x C 19.1073 -19.0400
8 C1x C 20.3197 -18.3400
9 C1y C 20.3197 -16.9400
10 C1z C 19.1073 -16.2400
11 C1y C 21.5322 -16.2400
12 C1z C 21.5322 -14.8400
13 C1x C 20.3197 -14.1400
14 C1y C 19.1073 -14.8400
15 C1x C 23.9570 -16.2400
16 C1y C 23.9570 -14.8400
17 C1z C 22.7446 -14.1400
18 C5a C 22.7446 -12.2500
19 C1b C 23.9611 -11.5477
20 O5a O 21.5362 -11.5523
21 O1a O 25.1586 -12.2392
22 O1a O 23.7511 -13.1577
23 C1a C 25.1566 -14.1473
24 X F 19.1073 -17.6400
25 O5x O 14.2576 -19.0400
26 C1a C 21.5322 -13.4400
27 C1a C 17.8949 -15.5400
28 O1a O 18.1174 -13.8501
BOND 31
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 15 16 1
18 16 17 1
19 12 17 1
20 17 18 1
21 18 19 1
22 18 20 2
23 19 21 1
24 17 22 1 #Down
25 16 23 1 #Down
26 10 24 1 #Down
27 2 25 2
28 11 15 1
29 12 26 1 #Up
30 5 27 1 #Up
31 14 28 1 #Up
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