Alendronic acid
National University of Singapore, Department of Computational Science

 27 26  0  0  0  0            999 V2000
    1.0933    0.2179   -0.3610 C   0  0  3  0  0  0
    2.8088    0.6235    0.0625 P   0  0  3  0  0  0
    0.8933   -1.5833   -0.4129 P   0  0  3  0  0  0
    0.1560    0.8042    0.6938 C   0  0  0  0  0  0
    0.7750    0.7699   -1.6412 O   0  0  0  0  0  0
    3.7685    0.0598   -1.0448 O   0  0  0  0  0  0
    2.9713    2.1826    0.1516 O   0  0  0  0  0  0
    3.1468    0.0246    1.3504 O   0  0  0  0  0  0
    2.1136   -2.2238   -1.1650 O   0  0  0  0  0  0
   -0.4346   -1.9408   -1.1704 O   0  0  0  0  0  0
    0.8324   -2.1056    0.9491 O   0  0  0  0  0  0
   -1.2936    0.5325    0.2945 C   0  0  0  0  0  0
   -2.2277    1.3710    1.1659 C   0  0  0  0  0  0
   -3.6236    1.0815    0.8074 N   0  0  0  0  0  0
    0.3173    1.8778    0.7657 H   0  0  0  0  0  0
    0.3596    0.3416    1.6572 H   0  0  0  0  0  0
    1.3414    0.3932   -2.3327 H   0  0  0  0  0  0
    4.6804    0.2595   -0.7812 H   0  0  0  0  0  0
    3.9005    2.3762    0.3517 H   0  0  0  0  0  0
    1.9717   -3.1826   -1.2043 H   0  0  0  0  0  0
   -0.5362   -2.9054   -1.1583 H   0  0  0  0  0  0
   -1.5168   -0.5230    0.4350 H   0  0  0  0  0  0
   -1.4377    0.7976   -0.7508 H   0  0  0  0  0  0
   -2.0233    2.4273    1.0045 H   0  0  0  0  0  0
   -2.0639    1.1258    2.2132 H   0  0  0  0  0  0
   -4.2399    1.6627    1.3575 H   0  0  0  0  0  0
   -3.8239    0.1090    0.9922 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2  8  2  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  3 11  2  0  0  0
  4 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5 17  1  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
M  END
$$$$