HMDB0240479
     RDKit          3D
Alanine betaine
 22 21  0  0  0  0  0  0  0  0999 V2000
    1.5574    1.2288    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619   -0.0756   -0.1631 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3957   -1.1180    0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676   -0.8225    1.9358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -2.4600    0.4642 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4680   -0.0760   -0.2112 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0075    1.1080   -0.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791   -0.1309    1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722   -1.2136   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355    1.2131    0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438    2.1158   -0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5346    1.2223    1.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278   -0.2919   -1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    1.3958   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287    1.9238   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856    0.8299   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114    0.3380    1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3587   -1.1666    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344    0.4607    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8786   -1.0115   -1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0964   -1.3414   -1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692   -2.1284   -0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  6
  7 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  CHG  2   5  -1   6   1
M  END