REMARK  Name = BDB049192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.569   1.339  -2.728  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.755   1.823  -1.363  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -2.051   1.415  -0.794  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.128  -0.071  -0.375  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.971  -0.429   0.573  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.379  -0.044  -0.050  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        0.358   1.444  -0.478  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.477  -0.425   0.228  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -4.288  -1.386  -0.395  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.532  -1.726   0.141  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.982  -1.112   1.307  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.189  -0.157   1.938  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.945   0.184   1.403  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.438  -0.297   0.929  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1        1.218   0.038   1.871  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.814  -0.313   0.699  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        3.772  -0.082   1.611  0.00  0.00    +0.129 A 
ATOM     18 CL   LIG    1        3.351   0.300   3.251  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        5.225  -0.113   1.278  0.00  0.00    +0.287 A 
ATOM     20  O   LIG    1        6.080   0.075   2.143  0.00  0.00    -0.265 OA
ATOM     21  N   LIG    1        5.528  -0.356  -0.057  0.00  0.00    -0.231 N 
ATOM     22  C   LIG    1        6.913  -0.436  -0.484  0.00  0.00    +0.176 C 
ATOM     23  N   LIG    1        4.591  -0.660  -1.011  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1        3.351  -0.641  -0.647  0.00  0.00    +0.157 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3