ATOM 45
1 C8y C 20.8600 -17.8500
2 C2b C 19.5300 -18.3400
3 N4x N 20.9300 -16.4500
4 C8y C 22.1900 -18.3400
5 C2y C 17.1500 -17.8500
6 C8y C 22.2600 -16.1700
7 C8y C 22.9600 -17.2900
8 C2y C 15.8900 -18.4800
9 N2x N 16.8700 -16.5200
10 C5a C 22.7500 -14.9100
11 N1x N 16.8000 -13.5100
12 C2y C 14.9100 -17.5700
13 C2y C 15.5400 -16.3100
14 C8y C 22.2600 -13.6500
15 C5x C 17.0100 -12.1800
16 C2y C 15.4700 -13.7200
17 C2b C 15.0500 -15.1200
18 C8y C 22.8200 -12.3900
19 N4x N 20.8600 -13.4400
20 C2y C 15.7500 -11.6200
21 C4a C 19.3200 -11.4800
22 C2y C 14.8400 -12.5300
23 C8y C 21.9100 -11.4800
24 C8y C 20.6500 -12.1100
25 C2b C 15.7500 -10.2200
26 C1a C 13.3700 -12.5300
27 C1a C 21.8400 -10.0100
28 C2b C 24.2900 -12.1800
29 C1b C 22.1200 -19.8800
30 C1b C 23.3800 -20.5800
31 C6a C 23.3100 -22.0500
32 O6a O 24.6400 -22.8900
33 O6a O 22.0500 -22.7500
34 C1b C 15.8900 -19.8800
35 C1b C 14.6300 -20.5100
36 C6a C 14.6300 -21.8400
37 O6a O 13.3700 -22.4700
38 O6a O 15.7500 -22.6100
39 C1a C 13.4400 -17.6400
40 C1a C 24.3600 -17.3600
41 C2a C 14.4900 -9.4500
42 O4a O 19.3200 -10.0100
43 O5a O 24.2200 -14.9100
44 C2a C 24.9900 -10.9200
45 O5x O 18.2224 -11.4800
BOND 48
1 11 16 1
2 13 17 1
3 14 18 2
4 14 19 1
5 15 20 1
6 16 22 1
7 18 23 1
8 19 24 1
9 20 25 1
10 22 26 1
11 23 27 1
12 6 7 2
13 12 13 1
14 16 17 2
15 20 22 2
16 21 24 1
17 23 24 2
18 18 28 1
19 1 2 1
20 4 29 1
21 1 3 1
22 29 30 1
23 1 4 2
24 30 31 1
25 2 5 2
26 31 32 2
27 3 6 1
28 31 33 1
29 4 7 1
30 8 34 1
31 5 8 1
32 34 35 1
33 5 9 1
34 35 36 1
35 6 10 1
36 36 37 1
37 8 12 2
38 36 38 2
39 9 13 2
40 12 39 1
41 10 14 1
42 7 40 1
43 11 15 1
44 25 41 2
45 21 42 2
46 10 43 2
47 28 44 2
48 15 45 2
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