ATOM 29
1 C1x C 15.6075 -16.8955
2 C2x C 15.6075 -18.3042
3 C2y C 16.8274 -19.0085
4 C1z C 18.0474 -18.3042
5 C1y C 18.0474 -16.8955
6 C1x C 16.8274 -16.1912
7 C1x C 19.2672 -19.0085
8 C1x C 20.4871 -18.3042
9 C1y C 20.4871 -16.8955
10 C1z C 19.2672 -16.1912
11 C1a C 16.8274 -20.4169
12 C1b C 19.2672 -14.7826
13 C1b C 20.4871 -14.0783
14 C2c C 20.4871 -12.6697
15 C2b C 19.2672 -11.9654
16 C1a C 21.7069 -11.9654
17 C1a C 20.4871 -15.4869
18 C1a C 21.7069 -16.6842
19 C1a C 18.0474 -19.7128
20 C1b C 19.2672 -10.5654
21 O2b O 18.0547 -9.8654
22 P1b P 16.6469 -9.9384
23 O2c O 15.2469 -9.9384
24 P1b P 13.8469 -9.9384
25 O1c O 13.8469 -8.5384
26 O1c O 12.4469 -9.9384
27 O1c O 13.8469 -11.3384
28 O1c O 16.6469 -8.5384
29 O1c O 16.6469 -11.3384
BOND 30
1 1 2 1
2 2 3 2
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 3 11 1
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 14 16 1
18 10 17 1 #Up
19 9 18 1 #Up
20 4 19 1 #Up
21 15 20 1
22 20 21 1
23 22 23 1
24 23 24 1
25 24 25 2
26 24 26 1
27 24 27 1
28 22 28 2
29 22 29 1
30 21 22 1
| 
