REMARK  Name = BDB049189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.075   0.732  -1.998  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1        0.094   0.151  -2.836  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.215   0.554  -1.213  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.300  -0.164  -1.543  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        2.373  -1.001  -3.062  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        3.476  -0.306  -0.637  0.00  0.00    +0.287 A 
ATOM      7  O   LIG    1        4.439  -1.004  -0.952  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1        3.398   0.395   0.561  0.00  0.00    -0.231 N 
ATOM      9  C   LIG    1        4.474   0.307   1.532  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        2.309   1.134   0.947  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        1.317   1.198   0.121  0.00  0.00    +0.157 A 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.276   1.015  -1.528  0.00  0.00    +0.137 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -2.768   1.547   1.045  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.542   0.152   0.527  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -1.838  -0.103  -0.672  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.710  -1.438  -1.105  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -2.221  -2.497  -0.355  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.885  -2.241   0.838  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.047  -0.927   1.274  0.00  0.00    +0.003 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3