REMARK  Name = BDB040737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.100   0.377   0.174  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -4.562   0.130  -1.089  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -5.324  -0.433  -2.038  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -3.238   0.444  -1.397  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -2.403   1.027  -0.439  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.930   1.262   0.836  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.256   0.944   1.127  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.715   1.183   2.364  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1      -10.297  -1.498  -0.285  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -9.159  -1.085  -0.080  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -8.710   0.073  -0.662  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -9.368   0.549  -1.263  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -7.528   0.735  -0.427  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -7.343   1.853  -0.905  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -6.537   0.046   0.510  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -6.767  -1.469   0.522  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -8.214  -1.767   0.878  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1       -1.061   1.336  -0.737  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1       -0.503   1.618  -2.032  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        0.719   2.202  -1.297  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1       -0.236   2.327  -0.094  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        1.836   1.253  -1.101  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        1.710   0.258  -1.228  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.984   1.601  -0.455  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        3.260   2.727  -0.070  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.757   0.500  -0.298  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.000   0.745   0.375  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.787  -0.569   0.467  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1        6.128  -1.116  -0.930  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        6.966  -2.390  -0.850  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        8.225  -2.187  -0.014  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        7.893  -1.650   1.375  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        7.061  -0.372   1.300  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 6