REMARK  Name = BDB002100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.427   0.287  -0.540  0.00  0.00    +0.186 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.173  -0.311   0.572  0.00  0.00    -0.296 N 
ATOM      3  H   LIG    1       -1.788  -1.146   0.997  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.354   0.233   1.032  0.00  0.00    +0.280 C 
ATOM      5  O   LIG    1       -3.837   1.229   0.496  0.00  0.00    -0.267 OA
BRANCH   4   6
ATOM      6  C   LIG    1       -3.956  -0.460   2.156  0.00  0.00    +0.189 A 
ATOM      7  O   LIG    1       -5.176  -0.018   2.602  0.00  0.00    -0.458 OA
ATOM      8  C   LIG    1       -5.542  -0.801   3.646  0.00  0.00    +0.196 A 
ATOM      9  C   LIG    1       -4.581  -1.751   3.894  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -3.559  -1.533   2.937  0.00  0.00    +0.054 A 
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -0.004  -0.262  -0.463  0.00  0.00    +0.328 C 
ATOM     12  O   LIG    1        0.266  -1.421  -0.160  0.00  0.00    -0.249 OA
BRANCH  11  13
ATOM     13  O   LIG    1        0.910   0.695  -0.779  0.00  0.00    -0.454 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.264   0.277  -0.631  0.00  0.00    +0.327 C 
BRANCH  14  16
ATOM     15  O   LIG    1        2.029   0.531   1.774  0.00  0.00    -0.272 OA
ATOM     16  C   LIG    1        2.697   0.115   0.830  0.00  0.00    +0.251 C 
ATOM     17  N   LIG    1        3.915  -0.526   0.973  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        4.357  -0.936   0.160  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.483  -0.794   2.256  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1        5.910  -1.253   2.382  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        5.524   0.125   2.833  0.00  0.00    +0.024 C 
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   1  22
ATOM     22  C   LIG    1       -2.055  -0.078  -1.893  0.00  0.00    +0.069 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.410   0.629  -3.061  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1       -0.563  -0.064  -3.936  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        0.045   0.599  -5.003  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -0.189   1.958  -5.205  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.032   2.655  -4.342  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.641   1.994  -3.275  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 9