ATOM 27
1 C8y C 16.8700 -18.1300
2 C8y C 16.8700 -16.7300
3 C5x C 18.0600 -18.8300
4 C8y C 15.6100 -18.8300
5 C8y C 15.6100 -16.0300
6 O2x O 18.0600 -16.0300
7 C1y C 19.3200 -18.1300
8 O5x O 18.0600 -20.0200
9 C8x C 14.4200 -18.1300
10 O1a O 15.6100 -20.2300
11 C8y C 14.4200 -16.7300
12 C1b C 15.6100 -14.6300
13 C1x C 19.3200 -16.7300
14 C8y C 20.5100 -18.8300
15 O1a O 13.2300 -16.0300
16 C1b C 14.4200 -13.9300
17 C8x C 21.7700 -18.1300
18 C8y C 20.5100 -20.2300
19 C1d C 14.4200 -12.5300
20 C8x C 22.9600 -18.8300
21 C8x C 21.7000 -20.9300
22 C1a C 13.1600 -11.8300
23 C1a C 14.4200 -10.7800
24 O1a O 15.7500 -12.0400
25 C8y C 22.9600 -20.2300
26 O1a O 24.1500 -20.9300
27 O1a O 19.3200 -20.9300
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 12 16 1
16 14 17 1
17 14 18 2
18 16 19 1
19 17 20 2
20 18 21 1
21 19 22 1
22 19 23 1
23 19 24 1
24 20 25 1
25 25 26 1
26 7 13 1
27 9 11 2
28 21 25 2
29 18 27 1
|