ATOM 30
1 C2x C 17.7911 -18.8784
2 C5x C 17.7911 -20.2367
3 C2x C 18.9672 -20.9157
4 C2y C 20.1435 -20.2367
5 C1z C 20.1435 -18.8784
6 C2x C 18.9672 -18.1994
7 C1x C 21.3196 -20.9157
8 C1x C 22.4958 -20.2367
9 C1y C 22.4958 -18.8784
10 C1z C 21.3196 -18.1994
11 C1y C 23.6721 -18.1994
12 C1z C 23.6721 -16.8413
13 C1x C 22.4958 -16.1622
14 C1y C 21.3196 -16.8413
15 C1x C 26.0243 -18.1994
16 C1x C 26.0243 -16.8413
17 C1z C 24.8481 -16.1622
18 X F 21.3222 -19.5575
19 C1a C 23.6990 -15.4832
20 C5a C 24.8533 -14.5950
21 C1a C 20.1405 -17.4813
22 C1b C 26.0354 -13.9187
23 O1a O 20.1205 -16.1490
24 O7a O 27.2250 -14.6119
25 O1a O 26.1518 -15.8037
26 O5x O 16.5733 -20.9401
27 O5a O 23.6329 -13.8837
28 C7a C 28.4180 -13.9293
29 C1a C 29.5986 -14.6171
30 O6a O 28.4237 -12.5194
BOND 33
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 14 23 1 #Up
27 22 24 1
28 17 25 1 #Down
29 2 26 2
30 20 27 2
31 24 28 1
32 28 29 1
33 28 30 2
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