ATOM 21
1 C8y C 19.3200 -23.5200
2 C8x C 19.3200 -22.1200
3 C8y C 20.5100 -21.4200
4 C8y C 21.7700 -22.1200
5 C8y C 21.7700 -23.5200
6 C8x C 20.5100 -24.2200
7 C5x C 22.9600 -21.4200
8 C8y C 24.1500 -22.1200
9 C8y C 24.1500 -23.5200
10 C5x C 22.9600 -24.2200
11 C8y C 25.4100 -21.4200
12 C8x C 26.6000 -22.1200
13 C8y C 26.6000 -23.5200
14 C8x C 25.4100 -24.2200
15 O5x O 22.9600 -25.6200
16 O5x O 22.9600 -20.0200
17 C1b C 27.7900 -24.2200
18 O1a O 29.0500 -23.5200
19 O1a O 25.4100 -20.0200
20 O1a O 20.5100 -20.0200
21 O1a O 18.1300 -24.2200
BOND 23
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 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 7 16 2
19 13 17 1
20 17 18 1
21 11 19 1
22 3 20 1
23 1 21 1
|