HMDB0059892
     RDKit          3D
Isothiocyanatocyclohexane
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.4699   -0.0249   -1.4804 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    0.0764    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718   -0.0343    1.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990   -0.0052    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    1.2188    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118    1.2191   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5598    0.0275   -0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451   -1.1893   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1735   -1.2742    0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239    0.1951    2.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.1102    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    1.3213   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396    1.2505    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    2.1677   -0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    0.3353   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393   -0.1546   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740   -1.3806   -1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -2.0740   -0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347   -1.9481    0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -1.8367    1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END