IMI Mol v1.0
10
(0.116751,0.921434)  H 3 2HG   (-0.109052,0.140756)
(0.910646,-0.921434)  R 2 R4   (0.0206925,0.120944)
(1.34675,-0.048214)  H 3 1HB   (-0.115223,-0.213484)
(-0.142051,0.224096)  C 2 CG   (-0.265891,-0.039366)
(1.02355,0.688003)  H 3 2HB   (-0.107601,0.135578)
(0.710447,0.074026)  C 2 CB   (-0.110081,0.133795)
(-0.63745,0.688003)  H 3 1HG   (-0.101464,0.135578)
(-0.631647,-0.542824)  C 2 CD   (-0.0664614,-0.210254)
(-1.34675,-0.676704)  H 3 1HD   (-0.0848996,-0.223848)
(-1.19405,-0.111064)  H 3 2HD   (-0.0990516,0.134157)
9
+ 8 4   5 1.537
+ 2 6   5 1.527
+ 6 5   5 1.111
+ 6 4   5 1.537
+ 8 9   5 1.111
+ 8 10   5 1.111
+ 4 7   5 1.111
+ 6 3   5 1.111
+ 4 1   5 1.111
15
- 8 4 1   1 9   5 120.0
- 8 4 7   1 7   5 120.0
+ 4 8 10   1 6   5 110.1
+ 4 8 9   1 5   5 110.1
+ 8 4 6   1 4   5 108.5
- 10 8 9   6 5   5 120.0
- 3 6 5   8 3   5 120.0
- 1 4 7   9 7   5 120.0
+ 2 6 3   2 8   5 110.1
+ 2 6 5   2 3   5 110.1
+ 6 4 1   4 9   5 110.1
- 4 6 3   4 8   5 120.0
+ 6 4 7   4 7   5 110.1
- 4 6 5   4 3   5 120.0
+ 4 6 2   4 2   5 108.5
12
- 10 8 4 6   + 3 5   4 60.0 0
+ 9 8 4 10   - 4 3   6 -120.0 -0.0203011
+ 9 8 4 6   + 4 5   4 60.0 0.0345251
+ 8 4 6 2   + 5 15   6 -46.94 0.0202247
+ 8 4 6 7   - 5 13   5 120.0 0
+ 8 4 6 1   - 5 11   6 -120.0 0.0300616
- 3 6 2 5   - 9 10   6 -120.0 0.0572726
- 7 4 6 1   - 13 11   5 120.0 0
- 2 6 4 7   + 15 13   4 60.0 0
- 2 6 4 1   + 15 11   4 60.0 -0.0221372
+ 4 6 2 5   - 15 10   6 -120.0 -0.0123689
+ 4 6 2 3   - 15 9   5 120.0 0.0321729
0
6 -1 -1