ATOM 44
1 C8y C 41.5800 -19.5300
2 C8y C 42.7000 -20.3700
3 C5a C 40.3900 -20.2300
4 N4x N 42.0000 -18.2000
5 C8y C 43.8200 -19.5300
6 C1a C 42.6300 -21.7700
7 C8y C 39.2000 -19.5300
8 C8y C 43.4000 -18.1300
9 C8y C 38.0800 -20.3700
10 N4x N 38.8500 -18.2000
11 C2b C 44.1000 -16.9400
12 C8y C 36.8900 -19.5300
13 C1a C 38.0800 -21.7700
14 C8y C 37.3800 -18.2000
15 C2y C 43.3300 -15.7500
16 C2b C 35.5600 -19.9500
17 C2b C 36.6100 -16.9400
18 C2y C 43.8200 -14.3500
19 N1x N 42.0000 -15.7500
20 C2y C 37.3800 -15.7500
21 C2y C 42.6300 -13.5800
22 C5x C 41.5800 -14.3500
23 C2y C 36.9600 -14.4200
24 N1x N 38.7800 -15.7500
25 C1a C 42.6300 -12.1800
26 O5x O 40.8100 -13.3700
27 C2y C 38.0800 -13.5800
28 C1a C 35.6300 -13.9300
29 C5x C 39.2000 -14.4200
30 C2b C 38.0800 -12.1800
31 O5x O 39.9700 -13.3000
32 O5a O 40.3900 -21.6300
33 C2a C 35.2800 -21.3500
34 C2a C 36.8900 -11.4800
35 C1b C 45.1445 -13.8965
36 C1b C 45.4079 -12.5540
37 C6a C 46.7596 -12.0915
38 O6a O 47.8238 -13.0202
39 O6a O 47.0259 -10.7355
40 C1b C 45.1498 -19.9676
41 C1b C 45.4322 -21.3213
42 C6a C 46.7684 -21.7608
43 O6a O 47.8030 -20.8361
44 O6a O 47.0559 -23.1384
BOND 47
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 1
5 7 9 2
6 7 10 1
7 8 11 1
8 9 12 1
9 9 13 1
10 10 14 1
11 11 15 2
12 12 16 1
13 14 17 1
14 15 18 1
15 15 19 1
16 17 20 2
17 18 21 2
18 19 22 1
19 20 23 1
20 20 24 1
21 21 25 1
22 22 26 2
23 23 27 2
24 23 28 1
25 24 29 1
26 27 30 1
27 29 31 2
28 5 8 2
29 12 14 2
30 21 22 1
31 27 29 1
32 1 2 2
33 1 3 1
34 1 4 1
35 3 32 2
36 16 33 2
37 30 34 2
38 18 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 37 39 2
43 5 40 1
44 40 41 1
45 41 42 1
46 42 43 2
47 42 44 1
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