ATOM 36
1 C2x C 19.7400 -17.8500
2 C5x C 19.7400 -19.2500
3 C2x C 20.9524 -19.9500
4 C2y C 22.1649 -19.2500
5 C1z C 22.1649 -17.8500
6 C2x C 20.9524 -17.1500
7 C1x C 23.3773 -19.9500
8 C1x C 24.5897 -19.2500
9 C1y C 24.5897 -17.8500
10 C1z C 23.3773 -17.1500
11 C1y C 25.8022 -17.1500
12 C1z C 25.8022 -15.7500
13 C1x C 24.5897 -15.0500
14 C1y C 23.3773 -15.7500
15 C1x C 28.2270 -17.1500
16 C1y C 28.2270 -15.7500
17 C1z C 27.0146 -15.0500
18 C5a C 27.0146 -13.6500
19 O5a O 28.2311 -12.9477
20 C1b C 25.8062 -12.9523
21 O1a O 25.8062 -11.5523
22 O2x O 29.6270 -15.7500
23 C1z C 29.6270 -14.3500
24 O2x O 28.2270 -14.3500
25 C8y C 31.0270 -14.3500
26 C1a C 29.6270 -12.9500
27 C8x C 31.7227 -15.5550
28 C8x C 33.1227 -15.5551
29 C8x C 33.8227 -14.3427
30 C8x C 33.1271 -13.1377
31 C8x C 31.7271 -13.1376
32 C1a C 25.8022 -14.3500
33 O1a O 22.1669 -15.0512
34 C1a C 22.1649 -16.4500
35 X F 23.3773 -18.5500
36 O5x O 18.5276 -19.9500
BOND 41
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 17 18 1 #Up
22 18 19 2
23 18 20 1
24 20 21 1
25 16 22 1 #Down
26 22 23 1
27 23 24 1
28 17 24 1 #Down
29 23 25 1 #Down
30 23 26 1 #Up
31 25 27 2
32 27 28 1
33 28 29 2
34 29 30 1
35 30 31 2
36 25 31 1
37 12 32 1 #Up
38 14 33 1 #Up
39 5 34 1 #Up
40 10 35 1 #Down
41 2 36 2
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