HMDB0245517
     RDKit          3D
2,6-Diisocyanatotoluene
 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.0511   -0.0746   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.0417   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047   -1.2316   -0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -2.4899   -0.4320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -3.1777    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7723   -3.7676    1.7252 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -1.2603   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449   -0.0504   -0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754    1.1309   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980    1.1643   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309    2.3675    0.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053    3.4676    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223    4.4843    0.9958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    0.9504   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054   -0.6211   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3095   -0.6139    0.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -2.2095   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191   -0.0909   -0.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921    2.0641   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  2  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  2  0
 10  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END