HMDB0030376
     RDKit          3D
(S)-Isowillardiine
 23 23  0  0  0  0  0  0  0  0999 V2000
    0.7755   -1.7917   -1.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -0.8754   -0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089   -0.4860    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343    0.1530    0.6637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315   -0.6174    0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -1.9919    0.5490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269   -0.0682    0.1589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946    1.2606    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132    2.0802    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    1.4775    0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2978    2.2439    0.7628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0529    0.2922   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097    0.5201   -2.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9283    1.1654   -0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8934   -2.7901   -0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781   -1.7534   -2.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -1.4282    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -1.3853    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743    0.2371    1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -2.5913    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9498    1.7171   -0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    3.1752    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8011    1.4566   -0.7526 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
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 10  4  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 14 23  1  0
M  END