ATOM 39
1 C1z C 22.9513 -15.1885
2 C1y C 22.9850 -16.5904
3 C1z C 24.1562 -15.8983
4 C1y C 21.7463 -14.4484
5 C1y C 21.6864 -17.2636
6 C1y C 20.4990 -15.1346
7 O7a O 21.7404 -13.0408
8 C1z C 20.4758 -16.5423
9 C2x C 21.8656 -18.6595
10 C1a C 19.3071 -14.3945
11 C7a C 20.5236 -12.3430
12 C1y C 19.2226 -17.0436
13 O1a O 20.4699 -17.9442
14 C2y C 20.8808 -19.6621
15 C1a C 19.3129 -13.0408
16 O6a O 20.5236 -10.9352
17 C1y C 18.7156 -18.2734
18 C2x C 18.1370 -16.1546
19 C1x C 19.4791 -19.5308
20 C5x C 17.3196 -18.2660
21 C2y C 16.9683 -16.9182
22 O5x O 16.4308 -19.3574
23 C1a C 15.6556 -16.4171
24 C1a C 25.3642 -16.5922
25 C1a C 25.3642 -15.1855
26 C1b C 22.0839 -20.3605
27 O1a O 23.2929 -19.6606
28 O7a O 24.1553 -14.4784
29 C7a C 24.1482 -13.0787
30 O6a O 22.9323 -12.3852
31 C2b C 25.3568 -12.3725
32 C2b C 26.7498 -12.3718
33 C2b C 27.9587 -13.0646
34 C2b C 29.1676 -12.3647
35 C2b C 30.3765 -13.0574
36 C2b C 31.5854 -12.3575
37 C1b C 32.7943 -13.0505
38 C1b C 34.0032 -12.3506
39 C1a C 35.2122 -13.0434
BOND 42
1 6 8 1
2 17 19 1
3 20 21 1
4 3 24 1
5 1 2 1
6 3 25 1
7 1 3 1
8 14 26 1
9 1 4 1
10 26 27 1
11 2 5 1
12 1 28 1 #Down
13 4 6 1
14 28 29 1
15 4 7 1 #Up
16 5 8 1
17 29 30 2
18 5 9 1
19 6 10 1 #Down
20 7 11 1
21 8 12 1
22 8 13 1 #Down
23 9 14 2
24 11 15 1
25 11 16 2
26 29 31 1
27 12 17 1
28 31 32 2
29 12 18 1
30 32 33 1
31 14 19 1
32 33 34 2
33 17 20 1
34 34 35 1
35 18 21 2
36 35 36 2
37 20 22 2
38 36 37 1
39 21 23 1
40 37 38 1
41 2 3 1
42 38 39 1
| 
