REMARK  Name = BDB019331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.220   0.170   0.593  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.195   0.798   1.704  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.670   0.899   2.742  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1        1.958   0.392   2.732  0.00  0.00    +0.067 A 
ATOM      5 CL   LIG    1        2.954   0.603   4.121  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        2.383  -0.257   1.573  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.497  -0.371   0.491  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.704  -0.833   1.445  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.727  -0.306   0.681  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.852   0.921  -0.157  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        6.064   0.853  -1.093  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        7.309   0.373  -0.345  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        7.091  -1.023   0.237  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1        5.791  -1.151   0.869  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        5.521  -2.200   1.662  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.256  -1.992   2.035  0.00  0.00    +0.143 A 
ENDBRANCH   6   8
BRANCH   1  18
ATOM     17  C   LIG    1       -1.917   0.526  -0.602  0.00  0.00    +0.221 C 
ATOM     18  N   LIG    1       -0.632   0.023  -0.510  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1       -0.264  -0.480  -1.304  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1       -2.490   1.214   0.237  0.00  0.00    -0.275 OA
BRANCH  17  23
ATOM     21  C   LIG    1       -5.141   0.463  -1.421  0.00  0.00    +0.074 C 
ATOM     22  C   LIG    1       -3.894   0.926  -2.196  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.608   0.124  -1.915  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.865  -1.388  -1.973  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -4.045  -1.811  -1.104  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -5.314  -1.060  -1.492  0.00  0.00    +0.022 C 
BRANCH  21  29
ATOM     27  C   LIG    1       -5.974   1.504   2.138  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -6.239   1.034   0.732  0.00  0.00    +0.210 C 
ATOM     29  N   LIG    1       -5.114   0.937  -0.048  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -4.204   1.134   0.377  0.00  0.00    +0.149 HD
ATOM     31  O   LIG    1       -7.368   0.752   0.342  0.00  0.00    -0.276 OA
ENDBRANCH  21  29
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 4