IMI Mol v1.0
13
(-0.417157,1.89485)  H 3 HE2   (0.140066,-0.0692741)
(0.00660715,1.20144)  N 3 NE2   (0.0585972,0.118843)
(-1.10581,0.642717)  H 3 HD2   (-0.0759145,-0.218921)
(-0.467318,0.598569)  C 3 CD2   (-0.152069,0.143073)
(-0.304368,-1.89485)  R 2 R4   (0.0272767,0.134473)
(-1.41373,-1.18242)  H 3 1HB   (-0.1103,-0.211212)
(-0.168871,-0.136041)  C 2 CG   (0.00587816,0.136046)
(1.41373,1.06985)  H 3 HE1   (-0.101597,-0.214111)
(-0.615388,-0.924432)  C 2 CB   (-0.191446,0.117592)
(0.377525,-1.17224)  H 3 2HB   (-0.124873,0.137204)
(0.564061,0.0999586)  N 3 ND1   (0.128695,0.0194188)
(0.70758,0.852617)  C 3 CE1   (-0.151442,0.128482)
(1.0734,-0.334811)  H 3 HD1   (-0.087263,-0.211228)
13
+ 1 2   5 1.000
+ 12 8   5 1.070
+ 11 13   5 1.000
+ 12 11   5 1.320
- 2 12   4 1.32
+ 4 2   5 1.370
+ 4 3   5 1.083
+ 7 11   5 1.370
+ 7 4   5 1.360
+ 9 7   5 1.500
+ 9 10   5 1.111
+ 9 6   5 1.111
+ 5 9   5 1.538
17
+ 1 2 4   1 6   5 126.0
+ 4 7 9   9 10   5 130.0
- 4 7 11   9 8   5 120.0
+ 7 4 3   9 7   5 130.0
+ 7 4 2   9 6   5 108.0
+ 8 12 11   2 4   5 126.0
+ 13 11 7   3 8   5 126.0
- 13 11 12   3 4   5 120.0
+ 12 11 7   4 8   5 108.0
- 2 4 3   6 7   5 120.0
+ 11 7 9   8 10   5 122.0
+ 7 9 5   10 13   5 113.5
- 7 9 6   10 12   5 120.0
- 7 9 10   10 11   5 120.0
+ 10 9 5   11 13   5 110.1
- 10 9 6   11 12   5 120.0
+ 6 9 5   12 13   5 110.1
14
+ 1 2 4 7   + 1 5   3 180 -0.108582
- 4 7 9 5   + 2 12   4 60.0 0.0127048
+ 11 7 9 4   - 11 2   3 180 -0.0211543
+ 9 7 4 2   + 2 5   3 180 0.0930916
- 9 7 4 3   + 2 4   4 60.0 -0.00603647
+ 2 4 7 3   - 5 4   3 180 0.00951564
+ 8 12 11 7   + 6 9   3 180 0.0842368
- 13 11 7 9   + 7 11   4 60.0 -0.0165335
+ 12 11 7 13   - 9 7   3 180 -0.000762135
+ 12 11 7 9   + 9 11   3 180 0.0807352
+ 11 7 9 5   + 11 12   3 -70 0.0213707
+ 7 9 5 6   - 12 17   3 120 0
+ 7 9 5 10   - 12 15   4 -120 0.00138288
- 10 9 5 6   - 15 17   5 120.0 0
0
-1 -1 -1