REMARK  Name = BDB049186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.871   0.000   0.353  0.00  0.00    +0.005 C 
ATOM      2  C   LIG    1        1.491  -1.498   0.251  0.00  0.00    +0.087 C 
ATOM      3  N   LIG    1        0.490  -1.844  -0.762  0.00  0.00    -0.303 NA
ATOM      4  C   LIG    1        1.019  -1.812  -2.122  0.00  0.00    +0.105 C 
ATOM      5  C   LIG    1       -0.752  -1.065  -0.631  0.00  0.00    +0.106 C 
ATOM      6  C   LIG    1       -0.649   0.234   0.211  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        0.697   0.909  -0.070  0.00  0.00    +0.028 C 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -1.727   1.168  -0.118  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -1.588   1.656  -1.006  0.00  0.00    +0.146 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -3.083   1.023   0.180  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.104   1.575  -0.493  0.00  0.00    +0.129 A 
ATOM     12 CL   LIG    1       -3.807   2.560  -1.891  0.00  0.00    -0.076 Cl
ATOM     13  C   LIG    1       -5.530   1.365  -0.108  0.00  0.00    +0.287 A 
ATOM     14  O   LIG    1       -6.443   1.908  -0.729  0.00  0.00    -0.265 OA
ATOM     15  N   LIG    1       -5.738   0.519   0.976  0.00  0.00    -0.231 N 
ATOM     16  C   LIG    1       -7.086   0.269   1.452  0.00  0.00    +0.176 C 
ATOM     17  N   LIG    1       -4.728  -0.018   1.732  0.00  0.00    -0.175 NA
ATOM     18  C   LIG    1       -3.516   0.225   1.357  0.00  0.00    +0.157 A 
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   1  19
ATOM     19  C   LIG    1        3.153   0.374  -0.426  0.00  0.00    +0.008 C 
BRANCH  19  21
ATOM     20  C   LIG    1        5.628   0.818  -0.433  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        4.451   0.317   0.410  0.00  0.00    -0.017 C 
ATOM     22  C   LIG    1        4.768  -1.075   0.953  0.00  0.00    +0.007 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 4