REMARK  Name = BDB007065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.208  -0.391  -0.407  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.234  -0.899  -0.332  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.062  -0.734   0.791  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        3.384  -1.179   0.839  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.912  -1.823  -0.295  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        5.240  -2.266  -0.238  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        5.987  -2.063   0.916  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        5.381  -1.421   1.980  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        3.112  -2.002  -1.433  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.104  -0.977   1.965  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        1.792  -1.545  -1.449  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        1.572  -0.114   1.923  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.328  -0.145   2.552  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.276   1.090  -0.786  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -0.502   1.514  -2.110  0.00  0.00    +0.046 A 
ATOM     16 CL   LIG    1       -0.758   0.408  -3.415  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -0.539   2.878  -2.433  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.350   3.843  -1.447  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -0.124   3.448  -0.135  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -0.085   2.090   0.190  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  21
ATOM     21  N   LIG    1       -0.926  -0.727   0.827  0.00  0.00    -0.318 N 
ATOM     22  H   LIG    1       -0.416  -0.402   1.650  0.00  0.00    +0.148 HD
BRANCH  21  29
ATOM     23  C   LIG    1       -5.601  -0.440  -0.810  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -4.539  -0.182   0.210  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -4.848   0.411   1.427  0.00  0.00    +0.144 A 
ATOM     26  F   LIG    1       -6.101   0.798   1.704  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -3.842   0.592   2.357  0.00  0.00    +0.151 A 
ATOM     28  N   LIG    1       -2.556   0.221   2.157  0.00  0.00    -0.238 NA
ATOM     29  C   LIG    1       -2.249  -0.353   0.976  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1       -3.215  -0.586  -0.003  0.00  0.00    +0.049 A 
ENDBRANCH  21  29
ENDBRANCH   1  21
TORSDOF 5