ATOM 13
1 C1y C 25.0223 -17.0038
2 C1y C 24.9742 -15.6014
3 C1x C 23.7668 -14.8775
4 C1x C 23.7229 -17.6824
5 C1x C 22.5226 -16.9657
6 C1x C 22.5504 -15.5635
7 C6a C 25.6723 -18.2064
8 O6a O 27.0741 -18.1911
9 O6a O 24.9874 -19.4304
10 C1b C 26.1938 -14.9231
11 C6a C 27.3911 -15.6401
12 O6a O 28.6109 -14.9618
13 O6a O 27.3688 -17.0355
BOND 13
1 2 3 1
2 1 7 1 #Up
3 3 6 1
4 7 8 2
5 5 4 1
6 7 9 1
7 4 1 1
8 2 10 1 #Up
9 10 11 1
10 1 2 1
11 11 12 1
12 5 6 1
13 11 13 2
|