REMARK  Name = BDB006148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.638   0.311  -0.328  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.816   1.767  -0.607  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.625   2.390  -1.063  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.390   3.574  -1.240  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.308   1.296  -1.221  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.538   1.176  -1.707  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        1.768  -0.163  -1.617  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1        0.706  -0.860  -1.067  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.249   0.088  -0.805  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.224  -2.039   0.679  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.416  -1.173   1.611  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.659  -0.066   1.148  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -0.945   0.700   2.097  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.970   0.382   3.456  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.716  -0.704   3.894  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.754  -1.097   5.568  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.437  -1.474   2.985  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.096   2.401  -0.590  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.412   3.470  -1.450  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.557   3.840  -2.415  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.663   4.092  -1.405  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.040   5.390  -2.476  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.636   3.652  -0.514  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.359   2.576   0.322  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.105   1.954   0.278  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        0.563  -2.392  -0.886  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        1.636  -3.169  -0.170  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        0.312  -2.956   0.488  0.00  0.00    +0.010 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        2.984  -0.693  -2.212  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.272  -0.029  -1.706  0.00  0.00    +0.026 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.641  -0.392  -0.255  0.00  0.00    -0.015 C 
ATOM     32  C   LIG    1        5.609   0.646   0.318  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        5.280  -1.780  -0.173  0.00  0.00    +0.007 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6