REMARK  Name = BDB034785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.465  -0.939  -4.089  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        2.709  -0.219  -2.873  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.879  -0.231  -1.746  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.437   0.616  -0.790  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.842   0.810   0.442  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.630   0.147   0.712  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.094  -0.725  -0.266  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        3.625   1.143  -1.323  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.709  -0.915  -1.511  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.793   0.650  -2.638  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        4.695   0.926  -3.413  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.045   0.305   1.988  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.495   1.032   2.538  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.312   0.172   2.386  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1       -1.622   0.227   3.738  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1       -0.452   0.500   4.968  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1       -2.946   0.062   4.059  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1       -3.915  -0.140   3.147  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -3.554  -0.180   1.854  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1       -2.275  -0.037   1.463  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -4.540  -0.349   0.885  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1       -4.053  -0.746  -0.438  0.00  0.00    +0.111 C 
ATOM     23  C   LIG    1       -5.214  -0.869  -1.443  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -6.244  -1.858  -0.906  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -6.832  -1.033   0.234  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -7.083   0.329  -0.434  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.019   0.437  -1.535  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.798  -0.922   1.370  0.00  0.00    +0.111 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  29
ATOM     29  C   LIG    1        4.460   2.143  -0.707  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.892   1.688  -0.402  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.071   0.728   0.791  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1        5.580  -0.691   0.499  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1        7.557   0.674   1.173  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1        5.351   1.243   1.914  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1        5.492   0.631   2.659  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 7