REMARK  Name = BDB017319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.381  -0.314   1.292  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.825  -0.163   1.883  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        0.926  -0.344   3.218  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.186  -0.700   3.976  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1       -0.131  -0.942   5.679  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1       -1.371  -0.833   3.298  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1       -1.490  -0.644   1.973  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -0.431  -0.099  -0.088  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        0.501   0.115  -0.430  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  N   LIG    1       -3.415  -0.301  -1.937  0.00  0.00    -0.267 N 
ATOM     11  N   LIG    1       -2.581   0.013  -2.950  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -1.394   0.128  -2.344  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1       -1.463  -0.131  -0.958  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.787  -0.410  -0.729  0.00  0.00    +0.131 A 
BRANCH  10  15
ATOM     15  C   LIG    1       -4.812  -0.571  -2.217  0.00  0.00    +0.177 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -7.178   0.243  -2.387  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1       -5.781   0.570  -1.842  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -5.334   1.932  -2.375  0.00  0.00    +0.043 C 
BRANCH  17  19
ATOM     19  O   LIG    1       -5.904   0.683  -0.417  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -6.263  -0.150  -0.065  0.00  0.00    +0.210 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  N   LIG    1        2.171  -0.244   3.857  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.051   0.204   4.764  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.393   0.173   3.190  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1        3.359   1.580   2.586  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        4.154   1.488   1.280  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        4.830   0.110   1.286  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        4.913  -0.279  -0.179  0.00  0.00    +0.111 C 
ATOM     28  N   LIG    1        3.745   0.350  -0.774  0.00  0.00    -0.300 N 
ATOM     29  C   LIG    1        3.011  -0.097  -1.851  0.00  0.00    +0.229 C 
ATOM     30  O   LIG    1        1.920   0.405  -2.128  0.00  0.00    -0.274 OA
ATOM     31  C   LIG    1        3.279   1.473   0.026  0.00  0.00    +0.111 C 
ATOM     32  C   LIG    1        3.878  -0.771   2.098  0.00  0.00    +0.027 C 
BRANCH  29  33
ATOM     33  C   LIG    1        3.581  -1.217  -2.688  0.00  0.00    +0.214 C 
BRANCH  33  34
ATOM     34  C   LIG    1        3.125  -2.512  -2.188  0.00  0.00    +0.072 C 
ATOM     35  N   LIG    1        2.814  -3.558  -1.792  0.00  0.00    -0.196 NA
ENDBRANCH  33  34
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 9