ATOM 30
1 C8x C 29.9986 -17.2756
2 C8y C 29.9986 -18.6801
3 C8x C 31.2149 -19.3823
4 C8x C 32.4312 -18.6801
5 C8x C 32.4312 -17.2756
6 C8x C 31.2149 -16.5734
7 C1b C 28.7824 -19.3823
8 O2a O 27.5831 -18.6897
9 C1y C 26.3919 -19.3774
10 O2x O 25.1969 -18.6872
11 C1y C 23.9805 -19.3892
12 C1y C 23.9803 -20.7937
13 C1y C 25.1753 -21.4839
14 C1y C 26.3917 -20.7819
15 O1a O 25.1752 -22.8932
16 C1b C 22.7455 -18.6760
17 O1a O 21.5426 -19.3704
18 O1a O 22.7514 -21.5031
19 O2a O 27.6291 -21.4966
20 C1y C 28.8454 -22.1988
21 C1y C 28.8456 -23.5954
22 C1y C 30.0619 -24.2974
23 C1y C 31.2782 -23.5951
24 C1y C 31.2780 -22.1985
25 O2x O 30.0616 -21.4965
26 O1a O 30.0621 -25.7023
27 C1b C 32.4857 -21.5009
28 O1a O 27.6516 -24.2853
29 O1a O 32.4831 -24.2907
30 O1a O 33.6750 -22.1873
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 9 8 1 #Up
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 9 14 1
16 13 15 1 #Up
17 11 16 1 #Up
18 16 17 1
19 12 18 1 #Down
20 14 19 1 #Down
21 20 19 1 #Down
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 22 26 1 #Down
29 24 27 1 #Down
30 21 28 1 #Up
31 23 29 1 #Up
32 27 30 1
| 
