IMI Mol v1.0
14
(-0.165988,1.33389)  H 2 HG   (-0.18692,-0.20459)
(0.0105561,-1.33389)  R 2 R4   (0.0364984,0.134008)
(-0.766105,-0.600654)  H 3 1HB   (-0.080874,-0.214961)
(-0.0117499,0.653667)  C 2 CG   (0.0517309,0.111353)
(-1.4853,0.640155)  H 4 2HD1   (-0.0910269,0.144084)
(-0.263096,-0.337834)  C 2 CB   (-0.254502,0.0711893)
(0.316635,-0.561134)  H 3 2HB   (-0.0813631,-0.191737)
(0.845965,0.362852)  C 3 CD2   (0.101449,-0.0879221)
(0.641797,-0.225594)  H 4 1HD2   (0.111073,0.0373734)
(-0.837511,0.360985)  C 3 CD1   (-0.299637,-0.110029)
(1.4853,0.676748)  H 4 2HD2   (-0.152087,0.13886)
(0.672275,1.0195)  H 4 3HD2   (-0.11547,0.133327)
(-1.05852,-0.292424)  H 4 1HD1   (-0.258999,0.127734)
(-0.995298,1.02741)  H 4 3HD1   (-0.126165,0.141102)
13
+ 10 14   5 1.111
+ 9 8   5 1.111
+ 10 13   5 1.111
+ 10 5   5 1.111
+ 8 12   5 1.111
+ 8 11   5 1.111
+ 4 8   5 1.538
+ 4 10   5 1.538
+ 4 1   5 1.111
+ 6 4   5 1.538
+ 6 7   5 1.111
+ 6 3   5 1.111
+ 2 6   5 1.538
24
+ 11 8 4   6 7   5 110.1
- 11 8 12   6 5   5 120.0
- 11 8 9   6 2   5 120.0
+ 14 10 4   1 8   5 110.1
- 14 10 13   1 3   5 120.0
+ 9 8 4   2 7   5 110.1
- 9 8 12   2 5   5 110.1
+ 13 10 4   3 8   5 110.1
+ 12 8 4   5 7   5 110.1
+ 8 4 6   7 10   5 114.0
- 8 4 1   7 9   5 120.0
- 8 4 10   7 8   3 114
+ 10 4 6   8 10   5 114.0
- 10 4 1   8 9   5 120.0
+ 1 4 6   9 10   5 110.1
+ 4 6 2   10 13   5 113.5
- 4 6 3   10 12   5 120.0
- 4 6 7   10 11   5 120.0
+ 7 6 2   11 13   5 110.1
- 7 6 3   11 12   5 120.0
+ 3 6 2   12 13   5 110.1
+ 5 10 4   4 8   5 110.1
- 5 10 13   4 3   5 120.0
- 5 10 14   4 1   5 120.0
21
- 11 8 4 6   + 1 10   6 -120.0 0.0112102
- 11 8 4 12   - 1 9   5 120.0 0
+ 9 8 4 11   - 6 1   3 120 0.0159172
- 14 10 4 6   + 4 13   4 60.0 -0.00157503
+ 13 10 4 14   - 8 4   4 -120 0
+ 9 8 4 6   + 6 10   3 180 -0.0399959
+ 9 8 4 12   - 6 9   4 -120 -0.00698493
+ 13 10 4 6   + 8 13   3 180 0.0239455
- 12 8 4 6   + 9 10   4 60.0 0.0672905
- 8 4 6 2   + 10 16   4 60.0 0.0589611
- 1 4 6 8   - 15 10   6 -120.0 -0.00378066
+ 10 4 6 8   - 13 10   3 120 -0.00795534
+ 10 4 6 2   + 13 16   3 175 0.0618991
+ 10 4 6 1   - 13 15   4 -120 -0.0123752
- 1 4 6 2   + 15 16   4 60.0 0.160402
+ 4 6 2 3   - 16 21   3 120 0.00288362
+ 4 6 2 7   - 16 19   4 -120 0.00491787
- 7 6 2 3   - 19 21   5 120.0 0
- 5 10 4 6   + 22 13   5 120.0 -0.0453126
+ 13 10 4 5   - 8 22   3 120 0
- 5 10 4 14   - 22 4   6 -120.0 0.0369749
0
2 -1 -1