ATOM 45
1 C8y C 26.7400 -14.3500
2 C8y C 27.9300 -15.0500
3 C1y C 25.6200 -14.9800
4 C8y C 26.7400 -13.0200
5 O2x O 27.9300 -17.0800
6 C8y C 29.0500 -14.3500
7 C1x C 25.6200 -16.3100
8 N1y N 24.5000 -14.3500
9 C8x C 27.9300 -12.3900
10 C1x C 25.6200 -12.3900
11 C8y C 29.0500 -18.4800
12 C8y C 29.0500 -13.0200
13 O2a O 30.1700 -14.8400
14 C8y C 24.5700 -16.8000
15 C1x C 24.5000 -13.0200
16 C1a C 23.3100 -14.9800
17 C8y C 30.1700 -17.7800
18 C8x C 29.0500 -19.8100
19 O1a O 30.1700 -12.3900
20 C8x C 24.5700 -18.1300
21 C8x C 23.4500 -16.1700
22 C8x C 31.3600 -18.3400
23 O2a O 30.1700 -16.5200
24 C8y C 30.3100 -20.3700
25 C8x C 23.4500 -18.8300
26 C8x C 22.2600 -16.8000
27 C8y C 31.3600 -19.6700
28 C1a C 31.5700 -15.6800
29 C1y C 30.3100 -21.7000
30 C8y C 22.2600 -18.1300
31 C1x C 32.6200 -20.2300
32 C1x C 29.1900 -21.1400
33 N1y N 31.5700 -22.3300
34 O2x O 20.7900 -19.0400
35 C1x C 32.6200 -21.5600
36 C8y C 26.8800 -21.1400
37 C8y C 24.5700 -21.0700
38 C8x C 25.7600 -20.4400
39 C8x C 26.8800 -22.4700
40 C8y C 24.5700 -22.4000
41 C8x C 25.6900 -23.1000
42 O2a O 23.3100 -23.0300
43 C1a C 31.5700 -23.7300
44 C1a C 22.1417 -22.2586
45 C1a C 31.2973 -14.0098
BOND 51
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 20 25 1
25 21 26 2
26 22 27 1
27 23 28 1
28 24 29 1
29 25 30 2
30 27 31 1
31 29 32 1
32 29 33 1
33 30 34 1
34 31 35 1
35 32 36 1
36 34 37 1
37 36 38 2
38 36 39 1
39 37 40 2
40 39 41 2
41 9 12 2
42 10 15 1
43 24 27 2
44 26 30 1
45 33 35 1
46 37 38 1
47 40 41 1
48 40 42 1
49 33 43 1
50 42 44 1
51 13 45 1
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