ATOM 31
1 C8y C 26.8377 -18.7707
2 C8y C 26.8436 -17.4334
3 O2x O 27.9999 -19.4541
4 C8y C 25.6698 -19.4365
5 C8y C 29.0863 -17.4392
6 C8y C 25.6755 -16.7560
7 C8y C 29.1504 -18.7767
8 C8y C 24.5133 -18.7650
9 C5a C 25.6638 -20.8324
10 C8y C 30.3242 -16.7734
11 C8y C 24.5133 -17.4218
12 O1a O 25.6815 -15.4068
13 C8y C 30.3126 -19.4541
14 O1a O 23.2987 -19.4599
15 C1b C 24.4492 -21.5273
16 O5a O 26.8728 -21.5390
17 C8y C 31.4807 -17.4509
18 O1a O 30.3359 -15.3777
19 C1a C 23.3044 -16.7209
20 C8y C 31.4747 -18.7884
21 C5a C 30.3068 -20.8499
22 C1c C 24.4432 -22.9232
23 C1a C 32.6953 -16.7560
24 O1a O 32.6837 -19.4949
25 C1c C 31.5157 -21.5507
26 O5a O 29.0979 -21.5449
27 C1a C 23.2285 -23.6122
28 C1a C 25.6464 -23.6298
29 C1b C 31.5098 -22.9523
30 C1a C 32.7304 -20.8615
31 C1a C 32.7187 -23.6532
BOND 33
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 4 9 1
9 5 10 1
10 6 11 2
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 9 16 2
16 10 17 2
17 10 18 1
18 11 19 1
19 13 20 2
20 13 21 1
21 15 22 1
22 17 23 1
23 20 24 1
24 21 25 1
25 21 26 2
26 22 27 1
27 22 28 1
28 25 29 1
29 25 30 1
30 29 31 1
31 5 7 2
32 8 11 1
33 17 20 1
| 
