REMARK  Name = BDB050392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.075  -2.486  -0.775  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        0.923  -3.581  -0.892  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1        0.422  -5.100  -1.526  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1        2.211  -3.403  -0.448  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        2.666  -2.248   0.075  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        1.794  -1.234   0.139  0.00  0.00    +0.217 A 
ATOM      7  N   LIG    1        0.520  -1.320  -0.261  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.261  -2.600  -1.244  0.00  0.00    -0.298 N 
ATOM      9  H   LIG    1       -1.627  -3.525  -1.041  0.00  0.00    +0.154 HD
BRANCH   8  17
ATOM     10  O   LIG    1       -5.022   3.553  -2.089  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.525   2.449  -1.944  0.00  0.00    +0.222 C 
ATOM     12  N   LIG    1       -5.223   1.249  -1.867  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -6.228   1.197  -1.931  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -4.362   0.178  -1.700  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.049   0.632  -1.659  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -1.995  -0.253  -1.502  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -2.271  -1.622  -1.363  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -3.620  -2.055  -1.438  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -4.681  -1.155  -1.598  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.032   2.124  -1.814  0.00  0.00    +0.133 C 
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   6  21
ATOM     21  N   LIG    1        2.183  -0.003   0.638  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        1.334   0.493   0.885  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.187  -0.065   1.681  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.428   1.313   2.237  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.320   1.567   3.600  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1        3.537   2.774   4.170  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        3.885   3.783   3.341  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        4.027   3.638   1.972  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        3.799   2.384   1.415  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5