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 N2y 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 O1a 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 O2a 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 C1a C 31.3600 -13.0200
26 C8x C 23.4500 -18.8300
27 C8x C 22.2600 -16.8000
28 C8y C 31.3600 -19.6700
29 C1a C 31.5700 -15.6800
30 C1y C 30.3100 -21.7000
31 C8y C 22.2600 -18.1300
32 C1x C 32.6200 -20.2300
33 C1x C 29.1900 -21.1400
34 N1y N 31.5700 -22.3300
35 O2x O 20.7900 -19.0400
36 C1x C 32.6200 -21.5600
37 C8y C 26.8800 -21.1400
38 C8y C 24.5700 -21.0700
39 C8x C 25.7600 -20.4400
40 C8x C 26.8800 -22.4700
41 C8y C 24.5700 -22.4000
42 C8x C 25.6900 -23.1000
43 O1a O 23.3100 -23.0300
44 C1a C 31.5700 -23.7300
45 C1a C 23.2876 -13.6500
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 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 30 34 1
34 31 35 1
35 32 36 1
36 33 37 1
37 35 38 1
38 37 39 2
39 37 40 1
40 38 41 2
41 40 42 2
42 9 12 2
43 10 15 1
44 24 28 2
45 27 31 1
46 34 36 1
47 38 39 1
48 41 42 1
49 41 43 1
50 34 44 1
51 8 45 1
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