REMARK  Name = BDB029573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.782  -1.133   0.139  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        4.935  -2.336   0.863  0.00  0.00    +0.062 A 
ATOM      3 CL   LIG    1        6.449  -2.728   1.609  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1        3.884  -3.250   0.998  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        2.640  -2.976   0.421  0.00  0.00    -0.032 A 
ATOM      6  C   LIG    1        1.506  -3.957   0.525  0.00  0.00    +0.055 C 
ATOM      7  C   LIG    1        0.172  -3.220   0.477  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.094  -2.326  -0.671  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        1.172  -1.494  -0.977  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.073  -0.544  -1.751  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        2.474  -1.794  -0.314  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        3.537  -0.887  -0.452  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        5.858  -0.212   0.069  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        6.736  -0.683   0.289  0.00  0.00    +0.152 HD
BRANCH  13  19
ATOM     15  C   LIG    1        4.859   4.507  -0.740  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        5.507   3.228  -0.575  0.00  0.00    -0.273 N 
ATOM     17  N   LIG    1        6.843   3.138  -0.718  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        7.089   1.844  -0.495  0.00  0.00    +0.157 A 
ATOM     19  C   LIG    1        5.914   1.107  -0.223  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        4.909   2.041  -0.259  0.00  0.00    +0.131 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1       -1.220  -2.013  -1.244  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.997  -0.857  -0.564  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.192   0.324  -0.457  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -0.509   0.286  -1.160  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.531  -1.260   0.835  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.721  -0.550   1.345  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -3.554   0.911   1.412  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -4.274   1.680   0.328  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.575   1.275  -0.017  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.319   2.008  -0.944  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.756   3.134  -1.544  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.458   3.531  -1.216  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.100   0.036   0.656  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -3.719   2.810  -0.276  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.971  -1.007   0.710  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 7