HMDB0004145
     RDKit          3D
BOX B
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.9774   -0.4306   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.0144   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    0.4784    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4841   -0.4087    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856   -1.8275   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    0.2904    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.2721    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.5209    0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -0.0243    0.5346 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    1.7794    0.7595 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229    1.6290    0.5139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242    1.7776    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022    2.8990    0.6078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9677   -0.0494   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0341   -1.6047   -0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4752    1.2528    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6893   -2.2202   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5659   -1.9481   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0860   -2.4638    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9902   -1.3485    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -1.0165    0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    0.5830    0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591    2.4185    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 12  3  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  5 17  1  0
  5 18  1  0
  5 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
 11 23  1  0
M  END