HMDB0013812
     RDKit          3D
1-Nitrohexane
 23 22  0  0  0  0  0  0  0  0999 V2000
    2.8410   -0.0008   -0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -0.2211    0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325   -0.4317    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    0.7682    0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374    0.6201    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726   -0.5613   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1944   -0.6528    0.0860 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.6623   -1.6758    0.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    0.3567   -0.2536 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766   -0.3019   -1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6439    1.0759   -1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -0.5985   -1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.1244    0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8283    0.6628    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423   -1.2890    0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -0.6963    1.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4085    0.9955   -0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778    1.6906    0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    0.5155    1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064    1.5297    0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -0.4912   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2703   -1.5029    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8101    1.3325   -0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
M  CHG  1   7   1
M  END