ATOM 28
1 C1x C 27.7656 -17.5463
2 C1y C 29.0614 -17.1508
3 C1z C 30.2577 -17.7822
4 O2x O 30.6531 -19.0781
5 O2x O 30.0152 -20.2763
6 C1y C 28.7193 -20.6718
7 C1y C 27.5274 -20.0318
8 C5x C 27.1320 -18.7360
9 C1a C 31.8588 -18.4184
10 C2b C 31.4035 -17.0613
11 C1x C 29.5246 -19.1326
12 O5x O 25.7985 -18.6065
13 C1a C 26.5033 -20.8718
14 C2b C 31.4035 -15.6613
15 C8y C 30.2190 -14.9776
16 C8y C 30.2188 -13.5802
17 C8x C 29.0063 -12.8803
18 C8y C 27.7939 -13.5805
19 C8x C 27.7941 -14.9779
20 C8x C 29.0066 -15.6777
21 C1d C 31.4470 -12.8707
22 C1d C 26.5783 -12.8788
23 X F 32.6594 -12.1707
24 X F 30.7470 -11.6583
25 X F 32.1470 -14.0831
26 X F 25.3658 -12.1788
27 X F 27.2783 -11.6664
28 X F 25.8783 -14.0912
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1
9 3 9 1 #Up
10 3 10 1
11 2 11 1 #Up
12 6 11 1 #Up
13 8 12 2
14 7 13 1 #Down
15 10 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 16 21 1
24 18 22 1
25 21 23 1
26 21 24 1
27 21 25 1
28 22 26 1
29 22 27 1
30 22 28 1
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