ATOM 27
1 C1y C 25.2032 -24.9091
2 C1y C 23.7967 -24.9091
3 C1b C 26.4174 -25.6160
4 C7x C 25.6347 -23.5853
5 C1b C 22.5824 -25.6160
6 C1x C 23.3582 -23.5853
7 C8y C 27.6245 -24.9091
8 O7x O 24.4964 -22.7560
9 O6a O 26.8199 -22.8786
10 C8y C 21.3684 -24.9091
11 C8x C 28.8330 -25.6160
12 C8x C 27.6188 -23.5083
13 C8x C 20.1543 -25.6160
14 C8x C 21.3684 -23.5083
15 C8x C 30.0471 -24.9091
16 C8y C 28.8330 -22.8086
17 C8x C 18.9401 -24.9091
18 C8y C 20.1543 -22.8143
19 C8y C 30.0471 -23.5083
20 C8y C 18.9401 -23.5083
21 O1a O 31.2611 -22.8086
22 O2a O 17.7259 -22.8086
23 O2a O 20.1543 -21.4191
24 C1a C 18.9460 -20.7215
25 C1a C 17.7247 -21.4134
26 O2a O 28.8330 -21.4134
27 C1a C 30.0413 -20.7160
BOND 29
1 2 6 1
2 3 7 1
3 4 8 1
4 4 9 2
5 5 10 1
6 7 11 2
7 7 12 1
8 10 13 2
9 10 14 1
10 11 15 1
11 12 16 2
12 13 17 1
13 14 18 2
14 15 19 2
15 17 20 2
16 19 21 1
17 20 22 1
18 6 8 1
19 16 19 1
20 18 20 1
21 18 23 1
22 1 2 1
23 23 24 1
24 1 3 1 #Down
25 22 25 1
26 1 4 1
27 16 26 1
28 2 5 1 #Up
29 26 27 1
|