ATOM 37
1 C1z C 25.4637 -30.2011
2 C1z C 25.4813 -28.8327
3 C1y C 24.2766 -30.8795
4 C1x C 27.8378 -30.1605
5 C1a C 25.4520 -31.5754
6 C1y C 26.6801 -28.1603
7 C1x C 24.3000 -28.1310
8 C1a C 25.4696 -27.4527
9 C1z C 23.0895 -30.1837
10 C1x C 24.2766 -32.2538
11 C1y C 27.8555 -28.8621
12 C1d C 26.6742 -26.7802
13 C5x C 23.1012 -28.8153
14 C1y C 21.8966 -30.8678
15 C1a C 23.7078 -31.5578
16 C2x C 23.0778 -32.9438
17 O1a O 29.1828 -28.4936
18 C5a C 27.8555 -26.0960
19 C1a C 25.4696 -26.0960
20 O1a O 26.6684 -25.1259
21 O5x O 21.9141 -28.1076
22 C2y C 21.8907 -32.2421
23 C1x C 20.7036 -30.1837
24 C2b C 29.0483 -26.7743
25 O5a O 27.8495 -24.7218
26 C1z C 20.7036 -32.9379
27 C1y C 19.5107 -30.8678
28 C2b C 30.2354 -26.0902
29 C1y C 19.5107 -32.2421
30 C1a C 20.0018 -34.1250
31 C1a C 21.3819 -34.1250
32 O1a O 18.3177 -30.1837
33 C1d C 31.4225 -26.7685
34 O1a O 18.3177 -32.9379
35 C1a C 32.6156 -27.4586
36 C1a C 32.6156 -26.0785
37 O1a O 31.4225 -28.1369
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 9 15 1 #Up
15 10 16 1
16 11 17 1 #Down
17 12 18 1
18 12 19 1 #Down
19 12 20 1 #Up
20 13 21 2
21 14 22 1
22 14 23 1
23 18 24 1
24 18 25 2
25 22 26 1
26 23 27 1
27 24 28 2
28 26 29 1
29 26 30 1
30 26 31 1
31 27 32 1 #Down
32 28 33 1
33 29 34 1 #Down
34 33 35 1
35 33 36 1
36 33 37 1
37 6 11 1
38 9 13 1
39 16 22 2
40 27 29 1
| 
