ATOM 32
1 C1y C 27.7323 -14.4163
2 C1y C 26.5328 -15.0884
3 C1z C 28.9317 -15.1235
4 C1z C 26.5152 -16.4632
5 C1x C 25.3392 -14.3870
6 C1x C 28.8954 -16.4926
7 C1b C 30.1182 -15.8086
8 C1z C 25.3158 -17.1482
9 C1x C 27.6972 -17.1716
10 C1a C 26.5035 -17.8439
11 C1x C 24.1398 -15.0709
12 O1a O 31.5048 -15.8086
13 C1y C 24.1281 -16.4515
14 C1x C 25.3158 -18.5348
15 C1a C 26.0041 -15.6918
16 C1z C 22.9169 -17.1365
17 C1x C 24.1164 -19.2187
18 C1y C 22.9110 -18.5231
19 C1x C 21.7291 -16.4458
20 C1a C 22.9053 -15.7501
21 C1z C 21.7291 -19.2128
22 C1x C 20.5251 -17.1365
23 C1y C 20.5251 -18.5231
24 C1a C 21.0219 -20.6164
25 C1a C 22.4084 -20.5464
26 O1a O 19.3256 -19.2070
27 C1x C 29.9749 -14.2013
28 C1x C 29.4203 -12.9242
29 C1y C 28.0343 -13.0571
30 C2c C 27.1088 -12.0103
31 C1a C 25.7131 -12.2933
32 C2a C 27.5427 -10.7152
BOND 36
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 3 7 1 #Up
7 4 8 1
8 4 9 1
9 4 10 1 #Down
10 5 11 1
11 7 12 1
12 8 13 1
13 8 14 1
14 8 15 1 #Up
15 13 16 1
16 14 17 1
17 16 18 1
18 16 19 1
19 16 20 1 #Up
20 18 21 1
21 19 22 1
22 21 23 1
23 21 24 1
24 21 25 1
25 23 26 1 #Up
26 6 9 1
27 11 13 1
28 17 18 1
29 22 23 1
30 3 27 1
31 27 28 1
32 28 29 1
33 1 29 1
34 29 30 1 #Down
35 30 31 1
36 30 32 2
| 
