ATOM 45
1 C8y C 24.0100 -14.2100
2 C8y C 25.2000 -14.9100
3 C1y C 22.8900 -14.8400
4 C8y C 24.0100 -12.8800
5 O2x O 25.2000 -16.9400
6 C8y C 26.3200 -14.2100
7 C1x C 22.8900 -16.1700
8 N1y N 21.7700 -14.2100
9 C8x C 25.2000 -12.2500
10 C1x C 22.8900 -12.2500
11 C8y C 26.3200 -18.3400
12 C8y C 26.3200 -12.8800
13 O2a O 27.4400 -14.7000
14 C8y C 21.8400 -16.6600
15 C1x C 21.7700 -12.8800
16 C1a C 20.5800 -14.8400
17 C8y C 27.4400 -17.6400
18 C8x C 26.3200 -19.6700
19 O2a O 27.4400 -12.2500
20 C8x C 21.8400 -17.9900
21 C8x C 20.7200 -16.0300
22 C8x C 28.6300 -18.2000
23 O2a O 27.4400 -16.3800
24 C8y C 27.5800 -20.2300
25 C1a C 28.6300 -12.8800
26 C8x C 20.7200 -18.6900
27 C8x C 19.5300 -16.6600
28 C8y C 28.6300 -19.5300
29 C1a C 28.8400 -15.5400
30 C1y C 27.5800 -21.5600
31 C8y C 19.5300 -17.9900
32 C1x C 29.8900 -20.0900
33 C1x C 26.4600 -21.0000
34 N1y N 28.8400 -22.1900
35 O2x O 18.0600 -18.9000
36 C1x C 29.8900 -21.4200
37 C8y C 24.1500 -21.0000
38 C8y C 21.8400 -20.9300
39 C8x C 23.0300 -20.3000
40 C8x C 24.1500 -22.3300
41 C8y C 21.8400 -22.2600
42 C8x C 22.9600 -22.9600
43 C1a C 28.8400 -23.5900
44 C1a C 28.7000 -13.8600
45 O1a O 20.6155 -22.9387
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 34 43 1
50 13 44 1
51 41 45 1
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