HMDB0029417
     RDKit          3D
Cycloalliin
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.4254    1.2033   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.3188    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -1.1485   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.9981    0.5533 S   0  0  0  0  0  4  0  0  0  0  0  0
    0.1884   -3.2586   -0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.9351    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    0.4753    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.9591   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    1.4298   -1.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433    0.8839    0.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0646    0.6548   -0.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013    0.9159   -1.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    2.2436   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2951    1.2595    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    0.3913    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205   -1.2970   -1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -1.4909    0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -0.8885    1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1335   -1.3403    0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    1.1780    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    0.2320    0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    0.2118   -1.4528 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
 10 21  1  0
 11 22  1  0
M  END