ATOM 31
1 C1x C 23.3096 -22.4697
2 C1y C 23.3096 -23.8697
3 C1y C 24.5220 -24.5697
4 C1z C 25.7345 -23.8697
5 C1y C 25.7345 -22.4697
6 C1x C 24.5220 -21.7697
7 C1x C 26.9469 -24.5697
8 C1x C 28.1594 -23.8697
9 C1y C 28.1594 -22.4697
10 C1z C 26.9469 -21.7697
11 C1z C 29.3719 -21.7697
12 C1z C 29.3719 -20.3698
13 C1x C 28.1594 -19.6697
14 C1x C 26.9469 -20.3698
15 C1x C 30.5843 -22.4697
16 C1x C 31.7967 -21.7697
17 C1z C 31.7967 -20.3698
18 C1y C 30.5843 -19.6697
19 C1x C 33.0092 -19.6697
20 C1x C 33.0092 -18.2697
21 C1z C 31.7967 -17.5697
22 C1x C 30.5843 -18.2697
23 C1a C 31.0967 -16.3573
24 C1a C 32.4967 -16.3573
25 C1a C 31.7967 -19.0397
26 C1a C 29.3719 -23.1697
27 C1a C 29.3719 -18.9697
28 C1a C 26.9469 -22.8197
29 C1a C 25.7345 -25.2697
30 C1a C 24.5220 -25.9697
31 O1a O 22.0972 -24.5697
BOND 35
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 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 21 23 1
28 21 24 1
29 17 25 1 #Up
30 11 26 1 #Up
31 12 27 1 #Down
32 10 28 1 #Up
33 4 29 1 #Up
34 3 30 1 #Up
35 2 31 1 #Up
| 
