ATOM 45
1 C1y C 23.8000 -19.0400
2 O2x O 22.6800 -18.2000
3 C1x C 23.3800 -20.3000
4 C1c C 24.7800 -18.3400
5 C1y C 21.5600 -19.0400
6 C1x C 21.9800 -20.3000
7 C1b C 25.9700 -19.0400
8 O1a O 24.7800 -17.0100
9 C1c C 20.3700 -18.3400
10 C1b C 27.1600 -18.3400
11 C1b C 19.1800 -19.0400
12 O1a O 20.3700 -16.9400
13 C1c C 28.3500 -19.0400
14 C1b C 17.9900 -18.3400
15 C1y C 29.5400 -18.3400
16 O1a O 28.3500 -20.4400
17 C1b C 16.8000 -19.0400
18 O2x O 30.6600 -19.1800
19 C1x C 29.9600 -17.0100
20 C1b C 15.6100 -18.3400
21 C1y C 31.7800 -18.3400
22 C1x C 31.3600 -17.0100
23 C1b C 14.4200 -19.0400
24 C1b C 32.9700 -19.0400
25 C1b C 13.2300 -18.3400
26 C1b C 34.1600 -18.3400
27 C1b C 12.0400 -19.0400
28 C1b C 35.3500 -19.0400
29 C1b C 10.8500 -18.3400
30 C1b C 36.5400 -18.3400
31 C1b C 9.6600 -19.0400
32 C1b C 37.8000 -19.0400
33 C1a C 8.4700 -18.3400
34 C1b C 38.9900 -18.3400
35 C1b C 40.1800 -19.0400
36 C1c C 41.3700 -18.3400
37 C1b C 42.5600 -19.0400
38 O1a O 41.3700 -17.0100
39 C2y C 43.7500 -18.3400
40 C7x C 44.1700 -17.0100
41 C2x C 44.9400 -19.1800
42 O7x O 45.6400 -17.0100
43 O6a O 43.4000 -15.9600
44 C1y C 46.0600 -18.3400
45 C1a C 47.3200 -18.8300
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 9 11 1
11 9 12 1
12 10 13 1
13 11 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 15 18 1
18 15 19 1
19 17 20 1
20 18 21 1
21 19 22 1
22 20 23 1
23 21 24 1
24 23 25 1
25 24 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 36 38 1
38 37 39 1
39 39 40 1
40 39 41 2
41 40 42 1
42 40 43 2
43 41 44 1
44 44 45 1
45 5 6 1
46 21 22 1
47 42 44 1
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