REMARK  Name = BDB049188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.206   1.867  -0.055  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        3.125   0.914  -0.229  0.00  0.00    -0.231 N 
ATOM      3  C   LIG    1        2.999  -0.158   0.650  0.00  0.00    +0.287 A 
ATOM      4  O   LIG    1        3.748  -0.337   1.610  0.00  0.00    -0.265 OA
ATOM      5  C   LIG    1        1.872  -1.093   0.365  0.00  0.00    +0.129 A 
ATOM      6 CL   LIG    1        1.623  -2.391   1.488  0.00  0.00    -0.076 Cl
ATOM      7  C   LIG    1        1.059  -0.941  -0.692  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1        1.429   0.202  -1.564  0.00  0.00    +0.157 A 
ATOM      9  N   LIG    1        2.369   1.066  -1.363  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.025  -1.756  -1.032  0.00  0.00    -0.337 N 
ATOM     11  H   LIG    1       -0.186  -2.451  -0.301  0.00  0.00    +0.146 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -1.285  -1.281  -1.591  0.00  0.00    +0.137 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.088  -0.555  -0.540  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.822  -1.274   0.416  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.544  -0.605   1.405  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.537   0.788   1.453  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.807   1.513   0.513  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.084   0.846  -0.477  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 3