ATOM 26
1 C1x C 10.7800 -24.4300
2 C1x C 10.7800 -25.8300
3 C1x C 11.9924 -26.5300
4 C1y C 13.2049 -25.8300
5 C1z C 13.2049 -24.4300
6 C1x C 11.9924 -23.7300
7 C1x C 14.4173 -26.5300
8 C1x C 15.6297 -25.8300
9 C1y C 15.6297 -24.4300
10 C1y C 14.4173 -23.7300
11 C1y C 16.8422 -23.7300
12 C1z C 16.8422 -22.3300
13 C1x C 15.6297 -21.6300
14 C1x C 14.4173 -22.3300
15 C1x C 19.2670 -23.7300
16 C1x C 19.2670 -22.3300
17 C1y C 18.0546 -21.6300
18 C1y C 18.0546 -20.2300
19 C1x C 19.2711 -19.5277
20 C1x C 19.2711 -18.1277
21 C7x C 18.0586 -17.4277
22 O7x O 16.8422 -18.1300
23 C1x C 16.8422 -19.5300
24 O6a O 18.0586 -16.0300
25 C1a C 16.8422 -20.9300
26 C1a C 13.2049 -23.0300
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
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
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 18 23 1
28 21 24 2
29 12 25 1 #Up
30 5 26 1 #Up
|