HMDB0240364
     RDKit          3D
5-Chloro-4-(guanidino)-2,1,3-benzothiazdiazole
 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9478   -0.0651   -1.4951 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601    0.1417   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    0.3013    0.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347    0.2031    0.7003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1269   -0.0857    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609   -1.3859    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -2.6213    1.0901 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810   -1.6637    0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466   -0.6704   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057    0.6562   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0738    1.6679   -0.6496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422    2.9882   -0.6537 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401    2.2140   -0.1561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060    0.9368    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670   -0.1933   -1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998   -0.0040   -0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073    0.7496    0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432    0.4746    1.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998   -2.6864    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7685   -0.9577   -0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14 10  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  8 19  1  0
  9 20  1  0
M  END