REMARK  Name = BDB013949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.578  -0.380  -0.209  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.613   0.654   0.364  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.081   1.602   1.013  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.757   0.490   0.164  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.369  -0.472  -0.725  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.899  -1.781  -0.966  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.614  -2.616  -1.868  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.762  -2.191  -2.526  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.230  -0.914  -2.295  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.274  -2.490  -0.326  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.544  -0.077  -1.411  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.263  -1.690   0.490  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.038  -0.459  -0.548  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.940   0.064   0.090  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.018   0.874   0.699  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.941  -1.407  -1.329  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.400   0.169  -0.146  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.400   1.695  -0.217  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.608   0.024  -2.295  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.506  -0.451  -0.919  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.307  -1.456  -0.957  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.617   1.508   0.811  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.721   0.921   1.677  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.052   1.375   1.582  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -5.033   0.819   2.410  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -4.691  -0.169   3.335  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1       -5.909  -0.845   4.348  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -3.378  -0.609   3.454  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.396  -0.061   2.632  0.00  0.00    +0.010 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -4.287   2.357   0.655  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -5.615   2.856   0.546  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6