ATOM 22
1 C8y C 28.5600 -33.6000
2 C8x C 28.5600 -35.0000
3 C8x C 29.7500 -35.7000
4 C8y C 30.9400 -35.0000
5 C8y C 30.9400 -33.6000
6 C8x C 29.7500 -32.9000
7 C5x C 32.1300 -35.7000
8 C1y C 33.3900 -35.0000
9 C1x C 33.3900 -33.6000
10 O2x O 32.1300 -32.9000
11 C8y C 34.5800 -35.6300
12 C8y C 34.5800 -37.0300
13 C8x C 35.7700 -37.7300
14 C8y C 36.9600 -37.0300
15 C8y C 36.9600 -35.6300
16 C8x C 35.7700 -34.9300
17 O2x O 38.3600 -37.5200
18 C1x C 39.1300 -36.3300
19 O2x O 38.3600 -35.2100
20 O1a O 33.3200 -37.8000
21 O5x O 32.1300 -37.0300
22 O1a O 27.3000 -32.9000
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1 #Up
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 17 18 1
21 18 19 1
22 15 19 1
23 12 20 1
24 7 21 2
25 1 22 1
|