ATOM 24
1 C1z C 24.6577 -18.5669
2 C1y C 24.6286 -17.1673
3 C1x C 25.9933 -18.9635
4 C1x C 23.5789 -19.4650
5 C4a C 24.6460 -19.9666
6 C1z C 25.9466 -16.7066
7 C1x C 23.4972 -16.3159
8 C1y C 26.7922 -17.8088
9 C2y C 22.2025 -19.1851
10 O4a O 25.6317 -20.9580
11 C1b C 25.9349 -15.3012
12 C1b C 27.1538 -15.9893
13 C1x C 22.1442 -16.6599
14 C1a C 28.1919 -17.7797
15 C2x C 21.5611 -17.9429
16 C1a C 21.3569 -20.3048
17 C1b C 27.1305 -14.5721
18 O1a O 28.3667 -16.6949
19 C2c C 27.1829 -13.1783
20 C2b C 28.3084 -12.4668
21 C1b C 25.8882 -12.5018
22 C1b C 28.2967 -11.0731
23 O1a O 24.6753 -13.1841
24 O1a O 29.5098 -10.3616
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 1 #Up
11 6 12 1 #Down
12 7 13 1
13 8 14 1 #Down
14 9 15 2
15 9 16 1
16 11 17 1
17 12 18 1
18 17 19 1
19 19 20 2
20 19 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 6 8 1
25 13 15 1
|