ATOM 23
1 C8y C 27.3861 -20.2695
2 C8y C 26.6724 -19.0523
3 C8y C 26.6527 -21.4849
4 C5a C 28.8456 -20.2712
5 C8x C 25.1878 -19.0542
6 C6a C 27.1824 -17.9211
7 C8x C 25.1897 -21.4849
8 O2a O 27.3771 -22.6804
9 C8y C 30.2908 -20.2695
10 O5a O 28.8029 -21.6603
11 C8y C 24.4475 -20.2712
12 O6a O 28.5097 -17.9228
13 O6a O 26.4580 -16.8684
14 C1a C 26.5097 -23.8850
15 C8y C 31.0223 -21.4813
16 C8y C 31.0223 -19.0542
17 O1a O 23.0078 -20.2820
18 C8x C 32.5050 -21.4813
19 O1a O 30.2908 -22.6714
20 C8x C 32.5050 -19.0542
21 O1a O 30.3623 -17.7185
22 C8y C 33.2331 -20.2712
23 C1a C 34.4888 -20.2712
BOND 24
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 6 13 2
13 8 14 1
14 9 15 2
15 9 16 1
16 11 17 1
17 15 18 1
18 15 19 1
19 16 20 2
20 16 21 1
21 18 22 2
22 22 23 1
23 7 11 2
24 20 22 1
|