ATOM 33
1 C1y C 13.5337 -14.7139
2 C1y C 13.5337 -13.3126
3 C1y C 12.2024 -12.8922
4 C1x C 11.3616 -14.0133
5 C1y C 12.2024 -15.1343
6 O1a O 11.7820 -11.5609
7 O1a O 11.7820 -16.4656
8 C1b C 14.7248 -12.6119
9 C2b C 15.9860 -13.3126
10 C2b C 14.7248 -15.4146
11 C2b C 15.9860 -14.7139
12 C1c C 17.1771 -15.4146
13 C1b C 18.3682 -14.7139
14 O2a O 19.6294 -15.4146
15 C2b C 17.3873 -13.3126
16 C1b C 18.5784 -12.6119
17 C1b C 19.8396 -13.3126
18 C1b C 21.0308 -12.6119
19 C6a C 22.2219 -13.3126
20 O6a O 23.4831 -12.6119 #-
21 O6a O 22.2219 -14.7139
22 O1a O 17.1771 -16.8159
23 C8y C 19.6294 -16.8159
24 C8x C 18.4383 -17.5166
25 C8x C 18.4383 -18.9180
26 C8x C 19.6294 -19.6186
27 C8y C 20.8206 -18.9180
28 C8x C 20.8206 -17.5166
29 C1d C 22.0117 -19.6186
30 X F 23.2729 -20.3193
31 X F 22.7124 -18.4275
32 X F 21.3110 -20.8098
33 Z Na 25.9698 -12.5999 #+
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1 #Up
7 5 7 1 #Up
8 2 8 1 #Up
9 8 9 1
10 1 10 1 #Down
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 9 15 2
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 19 21 2
22 12 22 1 #Up
23 14 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 23 28 1
30 27 29 1
31 29 30 1
32 29 31 1
33 29 32 1
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