REMARK  Name = BDB057380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.851  -0.189   1.202  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        3.063  -0.848   0.252  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.751  -0.430  -0.004  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.212   0.655   0.685  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.996   1.310   1.637  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.305   0.897   1.894  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        5.270  -0.632   1.465  0.00  0.00    +0.046 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.310   0.267   0.804  0.00  0.00    +0.125 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.295   0.197  -0.697  0.00  0.00    +0.305 C 
ATOM     10  O   LIG    1        6.344   1.148  -1.459  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        6.313  -1.060  -1.181  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        6.344  -0.930  -2.152  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  13
ATOM     13  O   LIG    1       -0.048   1.164   0.543  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -0.886   0.652  -0.495  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.700  -0.535   0.018  0.00  0.00    +0.082 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.563  -1.155  -1.076  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.421  -0.193  -1.689  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -4.640   0.065  -1.127  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1       -5.138  -0.478   0.057  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -6.410  -0.111   0.506  0.00  0.00    +0.044 A 
ATOM     21 CL   LIG    1       -7.022  -0.784   1.968  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -7.189   0.794  -0.212  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -6.692   1.341  -1.393  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.423   0.975  -1.844  0.00  0.00    +0.046 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   4  13
TORSDOF 10