REMARK  Name = BDB013973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.030  -0.417  -0.500  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.969   0.423   0.251  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.315   1.187   1.161  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.361   0.301  -0.173  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.784  -0.659  -1.148  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.315  -1.990  -1.108  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.737  -2.909  -2.084  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.627  -2.523  -3.083  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.105  -1.219  -3.117  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.583  -2.465   0.004  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.688  -0.296  -2.155  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.988  -1.887  -0.090  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.903   1.127  -1.010  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.355   0.133  -0.223  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.661   0.163   0.746  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.457   1.435  -2.111  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.083   1.866  -0.333  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.911   2.660  -1.339  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.653  -0.030  -0.228  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.885   0.956   0.527  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.537   1.524   1.069  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.333   1.268   0.366  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.620   0.654   0.921  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.917   0.979   0.394  0.00  0.00    -0.009 A 
ATOM     25  C   LIG    1       -5.067   0.320   0.916  0.00  0.00    -0.003 A 
ATOM     26  C   LIG    1       -6.347   0.621   0.373  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -6.507   1.560  -0.646  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -5.400   2.224  -1.142  0.00  0.00    +0.002 A 
ATOM     29 BR   LIG    1       -7.953  -0.215   0.983  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1       -4.886  -0.607   1.964  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -3.633  -0.875   2.510  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -4.135   1.939  -0.628  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -2.503  -0.243   2.009  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -1.242  -0.431   2.511  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -1.104  -1.183   3.709  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6