REMARK  Name = BDB038353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.013   1.959   0.202  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        0.248   1.405  -0.044  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.518   0.050   0.227  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.520  -0.734   0.749  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.790  -0.193   0.994  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.026   1.155   0.722  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.810  -0.495  -0.026  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.214  -1.817   0.193  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.603  -2.779   0.621  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.625  -1.909  -0.203  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.464  -3.006  -0.173  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.776  -2.827  -0.610  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.214  -1.568  -1.063  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.348  -0.459  -1.089  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.041  -0.659  -0.647  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.906   0.308  -0.556  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.802   0.892  -1.570  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        5.674   1.849  -0.610  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.100   0.929  -1.972  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.065   1.333  -2.627  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1       -2.850  -1.011   1.572  0.00  0.00    +0.079 A 
ATOM     22  N   LIG    1       -2.852  -1.365   2.911  0.00  0.00    -0.266 N 
ATOM     23  C   LIG    1       -1.817  -1.106   3.888  0.00  0.00    +0.173 C 
ATOM     24  N   LIG    1       -3.980  -1.976   3.315  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1       -4.720  -2.025   2.209  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1       -4.062  -1.474   1.087  0.00  0.00    +0.064 A 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.709  -1.438  -0.332  0.00  0.00    +0.167 A 
ATOM     28  N   LIG    1       -4.181  -1.149  -1.562  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1       -2.809  -0.998  -1.955  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -5.218  -1.219  -2.448  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1       -6.311  -1.576  -1.823  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1       -5.985  -1.744  -0.501  0.00  0.00    -0.129 NA
ENDBRANCH  26  27
ENDBRANCH   5  21
BRANCH   1  33
ATOM     33  O   LIG    1       -1.382   3.255  -0.026  0.00  0.00    -0.492 OA
BRANCH  33  35
ATOM     34  C   LIG    1       -1.013   5.532  -0.624  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1       -0.381   4.158  -0.492  0.00  0.00    +0.225 C 
ENDBRANCH  33  35
ENDBRANCH   1  33
TORSDOF 6