ATOM 43
1 O6a O 13.0395 -14.3981
2 C6a C 14.2505 -15.0973
3 C1b C 15.4616 -14.3981
4 C1b C 16.6726 -15.0973
5 C6a C 17.8836 -14.3981
6 O6a O 19.0946 -15.0973
7 O6a O 14.2505 -16.4954
8 O6a O 17.8836 -12.9998
9 C8x C 2.9400 -15.7500
10 C8y C 2.9400 -17.1500
11 C8x C 4.1524 -17.8500
12 C8x C 5.3649 -17.1500
13 C8y C 5.3649 -15.7500
14 C8x C 4.1524 -15.0500
15 C8x C 7.7897 -17.1500
16 C8y C 7.7897 -15.7500
17 C1c C 6.5773 -15.0500
18 C8x C 9.0022 -17.8500
19 C8y C 10.2146 -17.1500
20 C8x C 10.2146 -15.7500
21 C8x C 9.0022 -15.0500
22 X F 1.7276 -17.8500
23 X F 11.4311 -17.8523
24 N1y N 6.5773 -13.6500
25 C1x C 7.7918 -12.9488
26 C1x C 7.7918 -11.5488
27 N1y N 6.5793 -10.8488
28 C1x C 5.3649 -11.5500
29 C1x C 5.3649 -12.9500
30 C1b C 6.5793 -9.4500
31 C1c C 7.7923 -8.7497
32 C1b C 8.9880 -9.4402
33 O1a O 7.7923 -7.3502
34 S2a S 10.1752 -8.7549
35 C8y C 11.3665 -9.4429
36 N5x N 11.3665 -10.8497
37 C8x C 12.5789 -11.5498
38 N5x N 13.7913 -10.8498
39 C8y C 13.7914 -9.4430
40 C8y C 12.5790 -8.7429
41 N5x N 14.8318 -8.5062
42 C8x C 14.2625 -7.2272
43 N4x N 12.8701 -7.3735
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 2 7 2
7 5 8 2
8 9 10 2
9 10 11 1
10 11 12 2
11 12 13 1
12 13 14 2
13 9 14 1
14 15 16 1
15 16 17 1
16 13 17 1
17 15 18 2
18 18 19 1
19 19 20 2
20 20 21 1
21 16 21 2
22 10 22 1
23 19 23 1
24 17 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 24 29 1
31 27 30 1
32 30 31 1
33 31 32 1
34 31 33 1
35 32 34 1
36 34 35 1
37 35 36 2
38 36 37 1
39 37 38 2
40 38 39 1
41 39 40 2
42 35 40 1
43 39 41 1
44 41 42 2
45 42 43 1
46 40 43 1
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