ATOM 32
1 C1z C 25.9126 -26.1984
2 C1x C 25.2077 -27.4038
3 O2x O 26.6088 -27.4054
4 C1z C 27.0925 -25.5161
5 C1y C 27.0984 -24.1509
6 C1y C 27.2150 -26.8812
7 C1y C 28.2710 -26.2045
8 C1x C 24.7298 -25.5161
9 C1z C 28.2827 -23.4742
10 C1x C 25.9141 -23.4683
11 O2x O 25.9082 -24.8334
12 O7a O 27.2734 -29.1038
13 C1x C 29.4610 -25.5278
14 C1y C 24.7298 -24.1509
15 C1y C 28.2884 -22.1031
16 C1y C 29.4670 -24.1626
17 C1a C 29.4610 -22.7741
18 C7a C 26.5967 -30.2881
19 C1x C 29.4027 -21.3098
20 O2x O 27.1916 -21.2922
21 C1a C 30.6570 -23.4799
22 C1a C 27.2792 -31.4724
23 O6a O 25.2256 -30.2939
24 C1y C 28.9827 -19.9912
25 C1y C 27.6117 -19.9912
26 C2x C 29.4143 -18.6844
27 O2x O 27.1916 -18.6844
28 C2x C 28.3001 -17.8794
29 O7a O 28.2632 -27.5799
30 C7a C 29.2531 -28.5698
31 C1a C 30.6143 -28.2052
32 O6a O 28.8937 -29.9112
BOND 37
1 1 2 1 #Up
2 1 3 1 #Down
3 3 2 1
4 4 1 1
5 4 5 1
6 4 6 1
7 4 7 1
8 1 8 1
9 5 9 1
10 5 10 1
11 6 11 1
12 6 12 1 #Up
13 7 13 1
14 8 14 1
15 9 15 1
16 9 16 1
17 9 17 1 #Down
18 12 18 1
19 15 19 1
20 15 20 1
21 16 21 1 #Down
22 18 22 1
23 18 23 2
24 19 24 1
25 20 25 1
26 24 26 1
27 25 27 1
28 26 28 2
29 10 14 1
30 14 11 1 #Down
31 13 16 1
32 24 25 1
33 27 28 1
34 7 29 1 #Down
35 29 30 1
36 30 31 1
37 30 32 2
| 
