ATOM 33
1 C1x C 19.7850 -15.1343
2 O2x O 20.1262 -14.1981
3 C7a C 16.9892 -18.4839
4 O7a O 18.3726 -17.6320
5 C1a C 16.9892 -19.8637
6 O6a O 15.7963 -17.7940
7 O7a O 23.9026 -16.5339
8 C1z C 21.3582 -15.1511
9 C1z C 20.1989 -15.8118
10 C1y C 21.3639 -13.8244
11 C1z C 19.0513 -15.1452
12 C1y C 22.6708 -15.7918
13 C1a C 20.1873 -17.1399
14 C1y C 22.6910 -13.8186
15 O2x O 20.2106 -13.1520
16 C1y C 19.0570 -13.8127
17 C1x C 17.9039 -15.8061
18 C1b C 19.0397 -16.4734
19 O1a O 23.6357 -12.8866
20 C2x C 17.9039 -13.1461
21 C1y C 16.7504 -15.1452
22 C2y C 16.7504 -13.8127
23 O7a O 15.5842 -15.8061
24 C1a C 15.5842 -13.1461
25 C7a C 14.4437 -15.1511
26 C1b C 13.2962 -15.8118
27 O6a O 14.4379 -13.8186
28 C1c C 12.1300 -15.1569
29 C1a C 10.9894 -15.8178
30 C1a C 12.1300 -13.8244
31 C7a C 25.1425 -15.8149
32 C1a C 26.3547 -16.5147
33 O6a O 25.1412 -14.4155
BOND 36
1 3 4 1
2 3 5 1
3 1 2 1
4 3 6 2
5 8 9 1
6 8 10 1
7 8 2 1 #Down
8 9 11 1
9 9 12 1
10 9 13 1 #Up
11 10 14 1
12 10 15 1
13 11 16 1
14 11 17 1
15 11 18 1 #Down
16 14 19 1 #Down
17 16 20 1
18 17 21 1
19 18 4 1
20 20 22 2
21 21 23 1 #Down
22 22 24 1
23 23 25 1
24 25 26 1
25 25 27 2
26 26 28 1
27 28 29 1
28 28 30 1
29 12 14 1
30 15 16 1
31 21 22 1
32 12 7 1 #Up
33 8 1 1
34 7 31 1
35 31 32 1
36 31 33 2
| 
