REMARK  Name = BDB013228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.918  -0.053  -0.516  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.129  -0.236  -1.681  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.113  -1.155  -1.608  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.421  -1.210  -2.862  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.165  -0.321  -3.633  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.202  -1.855  -0.440  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.546  -1.710   0.621  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.145   0.297  -2.886  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.593  -0.811   0.554  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.500  -0.500  -2.011  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.268   0.668  -1.099  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1        3.061   0.878  -0.410  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1        2.928   2.013   0.399  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        3.997   2.885   0.482  0.00  0.00    +0.130 A 
ATOM     15 CL   LIG    1        3.906   4.294   1.456  0.00  0.00    -0.062 Cl
ATOM     16  N   LIG    1        5.165   2.723  -0.163  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1        5.269   1.626  -0.944  0.00  0.00    +0.116 A 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -1.284  -2.708  -0.393  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.217  -3.240   0.477  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.650  -2.187  -0.487  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.977  -1.282   0.666  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.062   0.102   0.549  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -2.954   0.982  -0.640  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -2.847   2.338   0.058  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -3.434   2.232   1.374  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -3.366   0.891   1.653  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -3.598   0.358   2.905  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -3.506  -1.025   3.049  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.197  -1.824   1.941  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.113  -3.152   2.111  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4