IMI Mol v1.0
6
(-0.0789294,1.01432)  H 2 HG   (-0.148937,-0.201602)
(-0.0651384,-0.0530039)  C 2 CB   (-0.177919,0.121366)
(0.606885,-0.197784)  H 3 2HB   (-0.113175,0.129424)
(0.273163,0.557551)  O 2 OG   (0.0610405,-0.18537)
(-0.606885,-0.263994)  H 3 1HB   (-0.0919047,0.150056)
(0.202295,-1.01432)  R 2 R4   (0.0331664,0.118051)
5
+ 4 1   4 0.96
+ 2 4   4 1.42
+ 2 5   5 1.111
+ 2 3   5 1.111
+ 6 2   5 1.538
7
+ 1 4 2   1 2   3 106
+ 4 2 6   2 5   5 110.1
- 4 2 3   2 4   5 120.0
- 4 2 5   2 3   5 120.0
+ 5 2 6   3 5   5 110.1
- 5 2 3   3 4   5 120.0
+ 3 2 6   4 5   5 110.1
4
+ 1 4 2 6   + 1 2   3 180 -0.0664571
+ 4 2 6 3   - 2 7   4 -120 0
+ 4 2 6 5   - 2 5   3 120 -0.00223761
- 5 2 6 3   - 5 7   5 120.0 0.0076472
0
6 -1 -1