REMARK  Name = BDB015861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.665  -1.431   0.261  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -1.478  -0.596  -0.788  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1       -0.208  -0.350  -1.190  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.927  -0.894  -0.598  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        0.737  -1.764   0.482  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -0.581  -2.018   0.914  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.377  -0.824   0.869  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -4.034  -0.646   0.498  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -3.069  -1.662   0.659  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.503  -2.884   1.201  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.834  -3.077   1.578  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.764  -2.051   1.417  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1       -7.795   3.155  -0.860  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -7.409   2.000  -0.087  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1       -8.186   1.597   0.933  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.544   0.526   1.408  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -6.353   0.240   0.699  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.303   1.222  -0.269  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1        2.225  -0.543  -1.129  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.224   0.086  -0.419  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        4.266   0.253  -1.290  0.00  0.00    -0.268 N 
ATOM     22  N   LIG    1        3.989  -0.186  -2.534  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        2.749  -0.671  -2.433  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.569   0.844  -1.015  0.00  0.00    +0.111 C 
ATOM     25  C   LIG    1        5.461   2.327  -0.648  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.839   2.879  -0.320  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1        7.447   2.115   0.720  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        7.664   0.756   0.343  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1        6.339   0.067   0.057  0.00  0.00    +0.055 C 
ENDBRANCH  21  24
ENDBRANCH   4  19
BRANCH   5  30
ATOM     30  C   LIG    1        1.882  -2.434   1.196  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        1.471  -3.434   2.031  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        2.781  -3.020   0.359  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        2.588  -1.578   1.985  0.00  0.00    -0.166 F 
ENDBRANCH   5  30
TORSDOF 5