REMARK  Name = BDB052749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 CL   LIG    1        6.430  -4.078  -0.354  0.00  0.00    -0.062 Cl
ATOM      2  C   LIG    1        4.742  -3.911  -0.315  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1        4.140  -2.688  -0.212  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1        2.792  -2.939  -0.212  0.00  0.00    +0.179 A 
ATOM      5  C   LIG    1        1.849  -1.833  -0.107  0.00  0.00    +0.167 A 
ATOM      6  N   LIG    1        2.333  -0.618  -0.017  0.00  0.00    -0.227 NA
ATOM      7  C   LIG    1        3.703  -0.393  -0.032  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.503  -4.224  -0.307  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        4.605  -1.391  -0.118  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        3.733  -4.840  -0.372  0.00  0.00    +0.151 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.156   1.011   0.085  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.462   1.911   0.894  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        3.796   3.216   1.063  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        4.869   3.658   0.377  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.620   2.860  -0.468  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.255   1.522  -0.616  0.00  0.00    +0.013 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     17  N   LIG    1        0.502  -2.137  -0.099  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1        0.307  -3.132  -0.165  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.630  -1.310  -0.084  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -1.891  -1.907   0.024  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -3.067  -1.141   0.067  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.045   0.258   0.011  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -1.777   0.843  -0.094  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -0.597   0.080  -0.136  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -4.203   1.010   0.050  0.00  0.00    -0.326 N 
ATOM     26  C   LIG    1       -5.461   0.481   0.600  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1       -6.307   1.624   1.187  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1       -6.646   2.647   0.240  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -5.662   2.812  -0.791  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1       -4.235   2.421  -0.369  0.00  0.00    +0.133 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4