REMARK  Name = BDB019187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.292  -2.084   0.480  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.165  -2.138   1.523  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.081  -2.314   0.667  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.731  -1.617  -0.641  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.684  -1.879  -0.815  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.018  -0.089  -0.668  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -2.490   0.282  -0.868  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -3.046   1.377  -0.167  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -4.386   1.745  -0.374  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -5.167   1.052  -1.293  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -4.623  -0.003  -2.017  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -6.805   1.510  -1.545  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.220   2.151   0.837  0.00  0.00    +0.222 C 
ATOM     14  F   LIG    1       -2.442   3.494   0.778  0.00  0.00    -0.238 F 
ATOM     15  C   LIG    1       -0.736   1.892   0.612  0.00  0.00    +0.202 C 
ATOM     16  C   LIG    1       -3.291  -0.378  -1.815  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -0.505   0.484   0.550  0.00  0.00    -0.366 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1        4.279   1.797   0.107  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        3.727   0.660   0.714  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        3.924  -0.036   1.935  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.063  -1.109   1.943  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        2.316  -1.078   0.778  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        2.733  -0.015   0.009  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        2.273   0.332  -1.206  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        2.881   1.426  -1.688  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        3.841   2.169  -1.110  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1        5.282   2.566   0.683  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        5.896   2.058   1.303  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        5.729   3.144  -0.019  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1        0.318  -3.231   2.440  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -0.338  -3.906   2.165  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -1.271  -3.731   0.446  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -0.662  -4.009  -0.266  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5