ATOM 44
1 C8y C 26.7400 -14.1400
2 C8y C 27.8600 -14.8400
3 C1y C 25.5500 -14.8400
4 C8y C 26.7400 -12.8800
5 O2x O 27.8600 -16.9400
6 C8y C 28.9800 -14.1400
7 C1x C 25.5500 -16.1700
8 N1y N 24.4300 -14.1400
9 C8x C 27.8600 -12.1800
10 C1x C 25.5500 -12.1800
11 C8y C 29.5400 -18.6200
12 C8y C 28.9800 -12.8800
13 O1a O 30.1700 -14.8400
14 C8y C 24.3600 -17.0800
15 C1x C 24.4300 -12.8800
16 C1a C 23.3100 -14.8400
17 C8y C 30.6600 -17.9200
18 C8x C 29.5400 -19.9500
19 O2a O 30.1700 -12.1800
20 C8x C 24.3600 -18.4100
21 C8x C 23.2400 -16.5200
22 C8x C 31.8500 -18.5500
23 O2a O 30.6600 -16.5900
24 C8y C 30.8000 -20.5800
25 C1a C 31.4300 -12.8100
26 C8x C 23.3800 -19.1800
27 C8x C 22.1200 -17.2200
28 C8y C 31.8500 -19.8800
29 C1a C 31.9900 -15.7500
30 C1y C 30.8000 -21.9100
31 C8y C 22.1200 -18.4800
32 C1x C 33.0400 -20.4400
33 N1x N 31.9900 -22.4700
34 O2x O 21.0700 -19.2500
35 C1x C 33.0400 -21.7700
36 C8y C 27.7431 -22.2108
37 C8y C 25.4429 -22.3541
38 C8x C 26.5000 -21.6934
39 C8x C 27.7197 -23.5419
40 C8y C 25.4257 -23.6084
41 C8x C 26.7391 -24.2723
42 C1x C 29.5876 -21.2100
43 O2a O 24.1976 -24.2900
44 C1a C 22.9851 -23.5900
BOND 50
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 11 18 2
18 12 19 1
19 14 20 2
20 14 21 1
21 17 22 2
22 17 23 1
23 18 24 1
24 19 25 1
25 20 26 1
26 21 27 2
27 22 28 1
28 23 29 1
29 24 30 1
30 26 31 2
31 28 32 1
32 30 33 1
33 31 34 1
34 32 35 1
35 34 37 1
36 36 38 2
37 36 39 1
38 37 40 2
39 39 41 2
40 9 12 2
41 10 15 1
42 24 28 2
43 27 31 1
44 33 35 1
45 37 38 1
46 40 41 1
47 30 42 1
48 42 36 1
49 40 43 1
50 43 44 1
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