HMDB0240650
     RDKit          3D
Ectoine
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8339    0.4416   -0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -0.2037   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879   -1.4313   -0.4163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453   -1.9143   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -1.0264   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    0.4733   -0.4281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0535    1.0153    0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210    0.4543    0.6001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249    2.3825    0.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    0.5641    0.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985    0.8853    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915    1.1166   -1.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5699   -0.4048   -0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206   -2.0854    0.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -2.9200   -0.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544   -1.3210    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156   -1.2562   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176    0.9448   -1.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5267    3.0598    0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4935    1.2256    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  6
  9 19  1  0
 10 20  1  0
M  END