REMARK  Name = BDB008482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.651  -0.402   0.795  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1        2.236  -0.616   0.587  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.339   0.366   0.035  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1        0.044  -0.429   0.047  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        0.212  -1.724   0.377  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        1.659  -1.866   0.670  0.00  0.00    +0.250 C 
ATOM      7  O   LIG    1        2.220  -2.907   0.966  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.188   0.252  -0.177  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.169   0.590   0.802  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.217   1.227   0.130  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -4.358   1.698   0.801  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.425   1.507   2.184  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.401   0.873   2.879  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1       -5.810   2.069   3.042  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1       -2.876   1.262  -1.207  0.00  0.00    -0.349 N 
ATOM     16  C   LIG    1       -3.690   1.838  -2.255  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1       -2.268   0.411   2.200  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -1.660   0.660  -1.405  0.00  0.00    +0.094 A 
ENDBRANCH   4   8
BRANCH   5  19
ATOM     19  C   LIG    1       -0.788  -2.787   0.536  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1       -1.810  -2.974  -0.406  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.763  -3.985  -0.241  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.695  -4.825   0.867  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.866  -6.068   1.071  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.682  -4.665   1.807  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.732  -3.651   1.640  0.00  0.00    +0.010 A 
ENDBRANCH   5  19
BRANCH   3  26
ATOM     26  O   LIG    1        1.264   1.424   0.972  0.00  0.00    -0.367 OA
ATOM     27  H   LIG    1        1.280   0.987   1.838  0.00  0.00    +0.212 HD
ENDBRANCH   3  26
BRANCH   3  28
ATOM     28  C   LIG    1        1.683   0.874  -1.394  0.00  0.00    +0.095 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.008   1.584  -1.601  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        3.277   2.803  -0.962  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.491   3.462  -1.170  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        5.440   2.911  -2.028  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        6.936   3.722  -2.283  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        5.183   1.710  -2.683  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        3.968   1.051  -2.475  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 5