REMARK  Name = BDB042740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.660  -2.344  -0.212  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.574  -1.792  -0.084  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.318  -2.534  -0.263  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.114  -1.849  -0.129  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.886  -2.496  -0.305  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.341  -1.837  -0.119  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.086  -2.316  -0.624  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.304  -0.384  -0.376  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.823   0.286   0.461  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -0.901  -3.875  -0.541  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.111  -4.557  -0.673  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -2.097  -5.872  -0.921  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.160  -0.425   0.228  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -3.278   0.216   0.411  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.325  -3.899  -0.547  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -4.447  -0.461   0.233  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -5.303   0.067   0.377  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.941   1.782   0.210  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -0.809   2.691   1.265  0.00  0.00    +0.133 A 
ATOM     20  F   LIG    1       -0.546   2.246   2.501  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -0.931   4.062   1.065  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -1.197   4.536  -0.212  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1       -1.316   5.854  -0.415  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -1.339   3.665  -1.283  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -1.212   2.298  -1.062  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1       -1.350   1.466  -2.104  0.00  0.00    -0.205 F 
ENDBRANCH   9  18
BRANCH   8  27
ATOM     27  C   LIG    1        1.716   0.225  -0.094  0.00  0.00    +0.011 C 
ATOM     28  C   LIG    1        2.796  -0.319  -1.045  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1        4.126   0.431  -0.905  0.00  0.00    +0.076 C 
ATOM     30  C   LIG    1        4.327   1.044   0.474  0.00  0.00    +0.249 C 
ATOM     31  F   LIG    1        5.652   1.190   0.715  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1        3.795   2.294   0.488  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1        3.684   0.225   1.575  0.00  0.00    +0.076 C 
ATOM     34  C   LIG    1        2.170   0.083   1.377  0.00  0.00    +0.011 C 
ENDBRANCH   8  27
TORSDOF 2