ATOM 30
1 C1y C 22.6800 -15.9600
2 C8y C 21.7700 -16.9400
3 C1y C 22.6800 -14.5600
4 O2x O 23.9400 -16.5200
5 C8y C 22.4700 -18.2000
6 C8x C 20.3700 -16.9400
7 C8y C 21.4900 -13.8600
8 N1y N 23.9400 -13.8600
9 C1y C 23.8000 -17.8500
10 C8y C 21.7700 -19.4600
11 C8x C 19.6700 -18.2000
12 C8y C 21.4900 -12.4600
13 C8y C 20.3000 -14.5600
14 C1x C 23.9400 -12.4600
15 C1a C 25.1300 -14.5600
16 C8y C 20.3700 -19.4600
17 O2a O 22.4700 -20.5800
18 C8x C 20.3000 -11.7600
19 C1x C 22.6800 -11.7600
20 C8y C 19.0400 -13.8600
21 O2a O 19.6700 -20.6500
22 C1a C 21.7700 -21.7700
23 C8y C 19.0400 -12.4600
24 O2x O 17.7100 -14.2800
25 O2x O 17.7100 -11.9700
26 C1x C 16.9400 -13.1600
27 O2a O 20.3000 -15.9600
28 C1a C 19.1100 -16.5900
29 C1a C 18.2700 -20.6500
30 O1a O 24.8500 -18.8300
BOND 34
1 2 5 2
2 2 6 1
3 3 7 1
4 3 8 1
5 4 9 1
6 5 10 1
7 6 11 2
8 7 12 2
9 7 13 1
10 8 14 1
11 8 15 1
12 10 16 2
13 10 17 1
14 12 18 1
15 12 19 1
16 13 20 2
17 16 21 1
18 17 22 1
19 18 23 2
20 20 24 1
21 23 25 1
22 24 26 1
23 5 9 1
24 11 16 1
25 14 19 1
26 20 23 1
27 25 26 1
28 1 2 1
29 1 3 1
30 13 27 1
31 1 4 1
32 27 28 1
33 21 29 1
34 9 30 1
|