HMDB0040612
     RDKit          3D
4-Acetyl-2(3H)-benzoxazolone
 20 21  0  0  0  0  0  0  0  0999 V2000
    2.6994    0.3724    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -0.7623    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157   -1.9441    0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439   -0.7521    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -1.9572    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.9760    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -0.8086   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    0.3841   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740    1.6217   -0.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1927    2.4653   -0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2360    3.7280   -0.4858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    1.7096   -0.2308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732    0.4150   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.9160   -0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525    0.0024    0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059    1.0619    1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -2.8710    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731   -2.9133    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5157   -0.7995   -0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    2.1078   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  4  1  0
 13  8  2  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
 12 20  1  0
M  END