ATOM 33
1 C1x C 25.9520 -14.3650
2 C1x C 27.3531 -14.3650
3 C2y C 28.3458 -15.3505
4 C2x C 28.3458 -16.7516
5 C1y C 27.3531 -17.7443
6 C1z C 25.9520 -17.7443
7 C1y C 24.9663 -16.7516
8 C1y C 24.9663 -15.3505
9 C1z C 23.5663 -15.3505
10 C1y C 23.5663 -16.7505
11 O7a O 24.9539 -13.9982
12 O7a O 24.2663 -17.9640
13 C1y C 25.5190 -19.0768
14 C7x C 26.7926 -19.9004
15 O7x O 27.7861 -19.0768
16 O1a O 26.6520 -16.5319
17 O6a O 26.7928 -21.2799
18 C7a C 23.5663 -19.1764
19 C2x C 22.3539 -14.6505
20 C2x C 21.1414 -15.3505
21 C5x C 21.1414 -16.7505
22 C1z C 22.3539 -17.4505
23 C1a C 23.5663 -13.9505
24 C7a C 24.9539 -12.5982
25 C1a C 25.9438 -11.6083
26 O6a O 23.6324 -12.0505
27 C1a C 21.0016 -17.8128
28 O1a O 21.6539 -18.6629
29 O6a O 22.6100 -19.3164
30 C1a C 24.2736 -20.4018
31 O5x O 19.9368 -16.7458
32 C1a C 29.6491 -14.8080
33 C1a C 25.4665 -20.2038
BOND 35
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 8 1 1
8 8 9 1
9 9 10 1
10 10 7 1
11 8 11 1 #Up
12 7 12 1 #Down
13 6 13 1
14 13 14 1
15 14 15 1
16 5 15 1 #Down
17 6 16 1 #Down
18 14 17 2
19 12 18 1
20 9 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 10 22 1
25 9 23 1 #Up
26 11 24 1
27 24 25 1
28 24 26 2
29 22 27 1 #Up
30 22 28 1 #Down
31 18 29 2
32 18 30 1
33 21 31 2
34 3 32 1
35 13 33 1 #Down
| 
