REMARK  Name = BDB019150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.082   0.183   0.411  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.827  -1.229  -0.159  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        0.628  -1.225  -0.680  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        1.246   0.077  -0.162  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1        0.044   1.029  -0.190  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.421   0.589  -1.007  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1        3.741  -0.049  -0.725  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        4.560   0.855  -0.060  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1        5.846   0.516   0.329  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        6.308  -0.763   0.020  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.493  -1.678  -0.661  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1        7.901  -1.225   0.483  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.826   2.124   0.146  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1        4.197  -1.319  -1.041  0.00  0.00    +0.008 A 
ATOM     15  O   LIG    1        2.649   1.992  -0.682  0.00  0.00    -0.367 OA
ENDBRANCH   4   6
BRANCH   1  20
ATOM     16  C   LIG    1       -5.926   0.209   0.648  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -4.677   0.730   0.282  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -4.203   1.891  -0.385  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -2.826   1.823  -0.421  0.00  0.00    +0.089 A 
ATOM     20  N   LIG    1       -2.440   0.653   0.185  0.00  0.00    -0.326 N 
ATOM     21  C   LIG    1       -3.561  -0.016   0.632  0.00  0.00    +0.146 A 
ATOM     22  N   LIG    1       -3.559  -1.192   1.289  0.00  0.00    -0.218 NA
ATOM     23  C   LIG    1       -4.812  -1.584   1.592  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1       -5.973  -0.966   1.306  0.00  0.00    -0.220 NA
BRANCH  16  25
ATOM     25  N   LIG    1       -7.133   0.828   0.361  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -7.904   0.177   0.457  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -7.131   1.408  -0.466  0.00  0.00    +0.144 HD
ENDBRANCH  16  25
ENDBRANCH   1  20
BRANCH   2  28
ATOM     28  O   LIG    1       -0.964  -2.228   0.862  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1       -1.886  -2.138   1.192  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        1.340  -2.368  -0.231  0.00  0.00    -0.389 OA
ATOM     31  H   LIG    1        0.758  -2.788   0.441  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 5