ATOM 27
1 C2x C 9.4464 -17.6103
2 C5x C 9.4464 -18.9736
3 C2x C 10.6268 -19.6550
4 C2y C 11.8072 -18.9736
5 C1z C 11.8072 -17.6103
6 C2x C 10.6268 -16.9289
7 C1x C 12.9877 -19.6550
8 C1x C 14.1681 -18.9736
9 C1y C 14.1681 -17.6103
10 C1z C 12.9877 -16.9289
11 C1y C 15.3486 -16.9289
12 C1z C 15.3486 -15.5658
13 C1x C 14.1681 -14.8843
14 C1y C 12.9877 -15.5658
15 C1x C 17.7093 -16.9289
16 C1x C 17.7093 -15.5658
17 C1z C 16.5289 -14.8843
18 X F 12.9903 -18.2919
19 C1a C 15.3056 -14.2029
20 C5a C 16.5342 -13.5213
21 C1a C 11.8042 -16.2080
22 C1b C 17.7203 -12.8425
23 O5x O 8.2358 -19.6724
24 O1a O 11.8037 -14.8828
25 O5a O 15.2931 -12.7985
26 O1a O 17.8326 -14.5496
27 O1a O 18.9327 -13.5486
BOND 30
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 10 18 1 #Down
22 12 19 1 #Up
23 17 20 1 #Up
24 5 21 1 #Up
25 20 22 1
26 2 23 2
27 14 24 1 #Up
28 20 25 2
29 17 26 1 #Down
30 22 27 1
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