REMARK  Name = BDB051841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.584   0.308  -1.514  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.544   1.670  -1.234  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.668   2.361  -0.995  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.672   2.344  -1.197  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.861   1.653  -1.450  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.845   0.278  -1.734  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.604  -0.380  -1.794  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        7.025  -0.757   2.373  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        5.654  -0.173   2.600  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1        4.753  -0.238   1.544  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1        5.154  -0.504   0.156  0.00  0.00    +0.126 C 
ATOM     12  C   LIG    1        4.018  -1.099  -0.686  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.766  -0.355  -0.541  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        1.863  -0.419  -1.602  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        2.074  -1.065  -2.627  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.357  -0.135   0.853  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        3.482   0.478   1.694  0.00  0.00    +0.126 C 
ATOM     18  O   LIG    1        5.364   0.316   3.692  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -3.106  -0.506  -2.053  0.00  0.00    +0.090 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.364  -0.042  -1.358  0.00  0.00    +0.046 A 
ATOM     21  N   LIG    1       -4.619  -0.262   0.021  0.00  0.00    -0.296 N 
ATOM     22  C   LIG    1       -5.788   0.241   0.599  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1       -5.800  -0.051   1.948  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -4.632  -0.781   2.223  0.00  0.00    +0.078 A 
ATOM     25 CL   LIG    1       -4.220  -1.383   3.758  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -6.773   0.949  -0.181  0.00  0.00    +0.273 A 
ATOM     27  O   LIG    1       -7.818   1.410   0.267  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -6.453   1.081  -1.515  0.00  0.00    -0.326 N 
ATOM     29  H   LIG    1       -7.139   1.574  -2.075  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1       -3.944  -0.915   1.040  0.00  0.00    +0.133 A 
ATOM     31 CL   LIG    1       -2.489  -1.778   0.800  0.00  0.00    -0.062 Cl
ATOM     32  C   LIG    1       -5.297   0.611  -2.085  0.00  0.00    +0.108 A 
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3