ATOM 21
1 C8y C 30.5200 -19.3900
2 C8y C 30.5200 -20.7900
3 C8y C 31.7324 -21.4900
4 C8y C 32.9449 -20.7900
5 C8y C 32.9449 -19.3900
6 C8x C 31.7324 -18.6900
7 C5x C 34.1573 -21.4900
8 C1x C 35.3697 -20.7900
9 C1y C 35.3697 -19.3900
10 O2x O 34.1573 -18.6900
11 C8y C 36.5822 -18.6900
12 C8x C 37.8153 -19.4022
13 C8x C 39.0279 -18.7024
14 C8y C 39.0281 -17.3024
15 C8x C 37.7950 -16.5902
16 C8x C 36.5824 -17.2900
17 O1a O 40.2405 -16.6024
18 O5x O 34.1573 -22.8900
19 O1a O 31.7324 -22.8900
20 O1a O 29.3076 -21.4900
21 O1a O 29.3076 -18.6900
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 1
10 9 10 1
11 5 10 1
12 9 11 1 #Down
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 7 18 2
21 3 19 1
22 2 20 1
23 1 21 1
|