REMARK  Name = BDB004863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.761  -0.201   1.078  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.673  -0.068   0.188  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.580   0.716   0.607  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.493   0.820  -0.290  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.519   0.252  -1.505  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.599  -0.462  -1.812  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.610   1.361   1.870  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.692   1.222   2.728  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.664  -0.659  -1.027  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.763   0.438   2.334  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.039  -1.674  -0.420  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.284  -1.598  -1.096  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.866  -2.207  -0.646  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.981  -1.012   0.769  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -5.917  -1.091   1.559  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.637   1.579   0.081  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        0.951   1.272   0.996  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.743   1.645  -0.867  0.00  0.00    +0.134 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.718   0.528  -0.596  0.00  0.00    -0.051 C 
ATOM     20  C   LIG    1        3.715   0.737   0.522  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        4.484  -0.525   0.958  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        4.524  -1.626  -0.061  0.00  0.00    -0.007 C 
ATOM     23  C   LIG    1        3.719  -1.634  -1.131  0.00  0.00    +0.037 C 
ATOM     24 CL   LIG    1        3.780  -2.932  -2.264  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        2.756  -0.585  -1.355  0.00  0.00    +0.020 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4