REMARK  Name = BDB019188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.438  -0.452  -1.052  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.224  -1.923  -0.682  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.089  -1.863   0.074  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.858  -0.819  -0.738  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.125   0.176  -1.099  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.044  -0.199   0.043  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.066   0.522  -0.840  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -4.449   0.384  -0.591  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -5.385   1.041  -1.408  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.953   1.867  -2.441  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -3.594   2.047  -2.671  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -6.105   2.679  -3.427  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.947  -0.497   0.528  0.00  0.00    +0.222 C 
ATOM     14  F   LIG    1       -5.462  -1.668   0.053  0.00  0.00    -0.238 F 
ATOM     15  C   LIG    1       -3.822  -0.823   1.507  0.00  0.00    +0.202 C 
ATOM     16  C   LIG    1       -2.658   1.383  -1.873  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -2.657  -1.265   0.802  0.00  0.00    -0.366 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.137   1.674   2.378  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.465   0.851   1.324  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        4.091   0.900   1.046  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.967   1.612   1.547  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        1.860   1.203   0.834  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.268   0.263  -0.084  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.625   0.073   0.034  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        4.355  -0.778  -0.704  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.653  -0.748  -0.359  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        6.239   0.002   0.595  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.048  -2.732  -1.860  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        0.533  -3.508  -1.555  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.719  -3.139   0.105  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -1.621  -2.982   0.458  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4