REMARK  Name = BDB057247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435  -1.525  -1.201  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.420  -0.856   0.045  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -1.572  -0.160   0.469  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -2.732  -0.094  -0.313  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.735  -0.752  -1.542  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.606  -1.459  -1.976  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.890   0.637   0.185  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -3.938   1.183   1.465  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -5.116   1.740   1.536  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -5.899   2.485   2.537  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -7.319   2.437   1.918  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -7.120   2.189   0.411  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -5.806   1.591   0.377  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -5.071   0.891  -0.504  0.00  0.00    +0.115 A 
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  C   LIG    1        0.605  -3.652  -1.162  0.00  0.00    +0.129 C 
ATOM     16  N   LIG    1        0.706  -2.258  -1.626  0.00  0.00    -0.336 N 
ATOM     17  C   LIG    1        1.012  -2.142  -3.058  0.00  0.00    +0.129 C 
ENDBRANCH   1  16
BRANCH   2  18
ATOM     18  C   LIG    1        0.765  -0.886   0.988  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.025  -0.741   0.299  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        2.019  -1.144  -0.633  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        3.212  -0.713   0.992  0.00  0.00    +0.218 C 
ATOM     22  O   LIG    1        3.274  -0.673   2.217  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.440  -0.764   0.099  0.00  0.00    +0.131 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.543   0.167   0.542  0.00  0.00    -0.037 A 
ATOM     25  C   LIG    1        5.628   1.469   0.026  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        6.642   2.340   0.445  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.683   3.923  -0.248  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        7.575   1.915   1.394  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        8.854   2.931   1.958  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        7.489   0.623   1.919  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.479  -0.245   1.497  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6