@<TRIPOS>MOLECULE
Alendronic acid
 27 26 0 0 0
SMALL
GASTEIGER
Energy = 0

@<TRIPOS>ATOM
      1 C1          1.0933    0.2179   -0.3610 C.3     1  <1>         0.2671
      2 P1          2.8088    0.6235    0.0625 P.3     1  <1>         0.3710
      3 P2          0.8933   -1.5833   -0.4129 P.3     1  <1>         0.3710
      4 C2          0.1560    0.8042    0.6938 C.3     1  <1>         0.0002
      5 O1          0.7750    0.7699   -1.6412 O.3     1  <1>        -0.3671
      6 O2          3.7685    0.0598   -1.0448 O.3     1  <1>        -0.3217
      7 O3          2.9713    2.1826    0.1516 O.3     1  <1>        -0.3217
      8 O4          3.1468    0.0246    1.3504 O.2     1  <1>        -0.2551
      9 O5          2.1136   -2.2238   -1.1650 O.3     1  <1>        -0.3217
     10 O6         -0.4346   -1.9408   -1.1704 O.3     1  <1>        -0.3217
     11 O7          0.8324   -2.1056    0.9491 O.2     1  <1>        -0.2551
     12 C3         -1.2936    0.5325    0.2945 C.3     1  <1>        -0.0369
     13 C4         -2.2277    1.3710    1.1659 C.3     1  <1>        -0.0068
     14 N1         -3.6236    1.0815    0.8074 N.3     1  <1>        -0.3300
     15 H1          0.3173    1.8778    0.7657 H       1  <1>         0.0306
     16 H2          0.3596    0.3416    1.6572 H       1  <1>         0.0306
     17 H3          1.3414    0.3932   -2.3327 H       1  <1>         0.2117
     18 H4          4.6804    0.2595   -0.7812 H       1  <1>         0.2198
     19 H5          3.9005    2.3762    0.3517 H       1  <1>         0.2198
     20 H6          1.9717   -3.1826   -1.2043 H       1  <1>         0.2198
     21 H7         -0.5362   -2.9054   -1.1583 H       1  <1>         0.2198
     22 H8         -1.5168   -0.5230    0.4350 H       1  <1>         0.0279
     23 H9         -1.4377    0.7976   -0.7508 H       1  <1>         0.0279
     24 H10        -2.0233    2.4273    1.0045 H       1  <1>         0.0422
     25 H11        -2.0639    1.1258    2.2132 H       1  <1>         0.0422
     26 H12        -4.2399    1.6627    1.3575 H       1  <1>         0.1182
     27 H13        -3.8239    0.1090    0.9922 H       1  <1>         0.1182
@<TRIPOS>BOND
     1     1     2    1
     2     1     3    1
     3     1     4    1
     4     1     5    1
     5     2     6    1
     6     2     7    1
     7     2     8    2
     8     3     9    1
     9     3    10    1
    10     3    11    2
    11     4    12    1
    12    12    13    1
    13    13    14    1
    14     4    15    1
    15     4    16    1
    16     5    17    1
    17     6    18    1
    18     7    19    1
    19     9    20    1
    20    10    21    1
    21    12    22    1
    22    12    23    1
    23    13    24    1
    24    13    25    1
    25    14    26    1
    26    14    27    1