REMARK  Name = BDB018514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.852   1.474  -0.301  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.460   1.756   0.085  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.053   3.042   0.084  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.891   4.093  -0.246  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.357   5.446  -0.199  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.221   3.899  -0.592  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.018   4.789  -0.871  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.678   2.487  -0.620  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.456  -2.378  -0.634  0.00  0.00    +0.318 A 
ATOM     10  N   LIG    1       -3.902  -1.611   0.377  0.00  0.00    -0.203 NA
ATOM     11  C   LIG    1       -3.370  -0.374   0.458  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -2.423   0.121  -0.418  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.045  -0.761  -1.412  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -2.546  -2.006  -1.545  0.00  0.00    -0.203 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -4.881  -4.026   0.203  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -3.946  -3.655  -0.799  0.00  0.00    -0.466 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.448   0.712   0.457  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.688   0.481  -0.096  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.243  -0.600   0.559  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.358  -1.108   1.466  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.302  -0.297   1.419  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.510  -1.232   0.379  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        4.621  -0.640  -0.244  0.00  0.00    +0.066 A 
ATOM     24 CL   LIG    1        4.732   1.012  -0.742  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        5.805  -1.381  -0.408  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.905  -2.692   0.054  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.824  -3.275   0.701  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.641  -2.552   0.867  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4