REMARK  Name = BDB001119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.460  -3.051  -0.921  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.130  -1.802  -0.377  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.485  -0.576  -0.056  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.517   0.205   0.469  0.00  0.00    +0.145 A 
ATOM      5  N   LIG    1        0.302   1.436   1.052  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        1.022   1.945   1.544  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -0.973   1.952   1.107  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -2.078   1.156   0.463  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -3.451   1.767   0.499  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.555   0.769   0.145  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -4.158  -0.083  -1.053  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -2.870  -0.868  -0.777  0.00  0.00    +0.036 C 
ATOM     13  O   LIG    1       -1.194   3.027   1.656  0.00  0.00    -0.268 OA
ATOM     14  N   LIG    1        1.699  -0.507   0.337  0.00  0.00    -0.216 N 
ATOM     15  C   LIG    1       -1.811  -0.049  -0.090  0.00  0.00    -0.027 A 
ATOM     16  N   LIG    1        1.439  -1.778  -0.089  0.00  0.00    -0.169 NA
ENDROOT
BRANCH  14  17
ATOM     17  C   LIG    1        3.046  -0.099   0.560  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        4.037  -1.082   0.715  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        5.367  -0.717   0.939  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.720   0.628   0.994  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.749   1.610   0.811  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.415   1.252   0.588  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
TORSDOF 1