REMARK  Name = BDB062936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099  -1.365   1.641  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.025  -0.621   2.217  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -2.135  -0.035   1.645  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.942   0.521   2.409  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.890  -0.557   3.670  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.421  -1.252   4.000  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.615  -2.196   2.821  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.500  -0.147   0.121  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.964  -1.602  -0.143  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -2.746  -1.874  -1.634  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -1.919  -0.711  -2.169  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -1.375  -0.009  -0.926  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.560   0.943  -0.229  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -3.214   2.303  -0.069  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.119   3.320  -0.376  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.658   4.966  -0.176  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.390   3.012  -0.846  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.757   1.679  -1.005  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.853   0.654  -0.699  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        2.247  -1.122   0.509  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        2.204  -2.129   0.433  0.00  0.00    +0.156 HD
ATOM     22  C   LIG    1        1.226  -0.429   1.124  0.00  0.00    +0.239 C 
ATOM     23  O   LIG    1        1.168   0.791   1.246  0.00  0.00    -0.273 OA
BRANCH  20  27
ATOM     24  C   LIG    1        5.756   0.138  -1.317  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        5.336  -1.181  -1.208  0.00  0.00    +0.158 A 
ATOM     26  N   LIG    1        4.186  -1.579  -0.608  0.00  0.00    -0.237 NA
ATOM     27  C   LIG    1        3.403  -0.616  -0.083  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1        3.737   0.729  -0.141  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        4.929   1.108  -0.766  0.00  0.00    +0.050 A 
BRANCH  24  31
ATOM     30  C   LIG    1        7.379   1.692  -2.075  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.942   0.343  -1.955  0.00  0.00    -0.494 OA
ENDBRANCH  24  31
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5