REMARK  Name = BDB040517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.452  -2.189  -3.439  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.463  -1.093  -2.950  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.024   0.200  -2.744  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.782   1.203  -2.180  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -0.032   2.706  -1.917  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        2.124   0.954  -1.825  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.595  -0.367  -2.042  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.204  -0.862  -1.616  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.779  -1.367  -2.587  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        3.065   1.980  -1.191  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        2.909   3.423  -1.650  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        3.065   3.766  -2.821  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        2.559   4.349  -0.695  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        2.438   5.292  -1.037  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        1.996   4.100   0.532  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        1.448   4.993   1.172  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.010   2.667   1.002  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        3.127   1.882   0.340  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -0.869  -3.577  -1.451  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -1.306  -2.623  -2.357  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.926  -1.916  -1.969  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.095  -4.303  -1.692  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -1.124  -4.801   0.728  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -1.682  -3.656  -0.141  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -3.155  -3.980  -0.454  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -1.581  -2.309   0.575  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1       -0.905  -2.231   1.736  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1       -0.787  -1.005   2.297  0.00  0.00    +0.137 A 
ATOM     29  C   LIG    1       -1.313   0.160   1.771  0.00  0.00    +0.066 A 
ATOM     30  C   LIG    1       -1.991  -0.040   0.584  0.00  0.00    +0.137 A 
ATOM     31  N   LIG    1       -2.146  -1.238  -0.030  0.00  0.00    -0.237 NA
BRANCH  29  32
ATOM     32  N   LIG    1       -1.141   1.417   2.360  0.00  0.00    -0.327 N 
ATOM     33  C   LIG    1       -1.936   2.596   2.166  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1       -1.239   3.167   3.405  0.00  0.00    +0.038 C 
ATOM     35  C   LIG    1       -0.914   1.709   3.747  0.00  0.00    +0.107 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6