ATOM 21
1 C1b C 31.9496 -21.0316
2 C1b C 33.1690 -21.7195
3 C1a C 33.1847 -23.1155
4 C7a C 31.9547 -19.6320
5 C1b C 25.8883 -17.5170
6 C1b C 24.6648 -16.8360
7 C7a C 27.0992 -16.8222
8 O7a O 28.3107 -17.5243
9 O6a O 27.1016 -15.4191
10 C1b C 33.1677 -13.3322
11 C1b C 34.3791 -12.6301
12 C1a C 34.3735 -11.2299
13 O7a O 31.9518 -15.4271
14 C7a C 33.1627 -14.7325
15 O6a O 34.3742 -15.4346
16 C1b C 29.5270 -16.8248
17 C1c C 30.7385 -17.5269
18 O7a O 30.7390 -18.9235
19 C1b C 31.9540 -16.8260
20 O6a O 33.1668 -18.9261
21 C1a C 23.4494 -17.5226
BOND 20
1 7 9 2
2 7 5 1
3 5 6 1
4 10 11 1
5 11 12 1
6 4 1 1
7 2 3 1
8 13 14 1
9 14 15 2
10 14 10 1
11 16 17 1
12 17 18 1
13 18 4 1
14 7 8 1
15 17 19 1
16 1 2 1
17 4 20 2
18 19 13 1
19 16 8 1
20 6 21 1
|