ATOM 34
1 C1y C 19.4546 -21.0002
2 C1y C 19.4546 -22.3626
3 C1x C 20.6343 -23.0439
4 C1y C 21.8143 -22.3626
5 C1z C 21.8143 -21.0002
6 C1x C 20.6343 -20.3191
7 C5x C 22.9941 -23.0439
8 C2x C 24.1739 -22.3626
9 C2y C 24.1739 -21.0002
10 C1y C 22.9941 -20.3191
11 C1z C 25.3538 -20.3191
12 C1z C 25.3538 -18.9567
13 C1x C 24.1739 -18.2756
14 C1x C 22.9941 -18.9567
15 C1x C 27.7134 -20.3191
16 C1x C 27.7134 -18.9567
17 C1y C 26.5336 -18.2756
18 C1c C 26.5336 -16.9132
19 C1a C 21.8143 -19.6379
20 O1a O 18.2748 -23.0439
21 C1a C 25.3538 -17.5943
22 C1c C 27.7174 -16.2297
23 C1a C 25.3577 -16.2342
24 C1b C 28.8828 -16.9027
25 C1b C 30.0371 -16.2362
26 C1d C 31.1969 -16.9060
27 C1b C 32.3541 -16.2380
28 C1a C 31.1969 -18.2753
29 O1a O 32.3767 -17.5871
30 O1a O 25.3538 -21.6814
31 O5x O 22.9941 -24.4062
32 O1a O 27.7174 -14.8698
33 O1a O 18.2781 -20.3211
34 O1a O 34.0540 -17.1474
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 5 19 1 #Up
23 2 20 1 #Up
24 12 21 1 #Up
25 18 22 1
26 18 23 1 #Down
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 26 28 1
32 26 29 1
33 11 30 1 #Down
34 7 31 2
35 22 32 1 #Down
36 1 33 1 #Up
37 27 34 1
| 
