REMARK  Name = BDB014033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.694  -0.329   0.862  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.365   0.348   0.557  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.376   1.536   0.200  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.820  -0.377   0.681  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.964  -1.768   1.058  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.065  -2.517   1.849  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.350  -3.888   2.111  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.487  -4.522   1.628  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.377  -3.799   0.865  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.198  -2.064   2.546  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.117  -2.453   0.592  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.687  -0.651   2.342  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.067   0.213   0.368  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.763   0.614   0.534  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.471   1.553   0.273  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.428  -0.949   0.548  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.026   1.339  -0.076  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.866   1.564  -1.577  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.744   1.107   1.626  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.431   0.976   0.207  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.548  -0.008  -0.055  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.039   0.397   0.367  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.460   0.467  -1.100  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -3.658   1.154  -1.469  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -4.033   1.196  -2.838  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -5.207   1.859  -3.233  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.026   2.490  -2.298  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.678   2.466  -0.950  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -3.232   0.577  -3.804  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -2.063  -0.082  -3.442  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.510   1.807  -0.544  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -1.680  -0.135  -2.106  0.00  0.00    +0.006 A 
BRANCH  28  33
ATOM     33  C   LIG    1       -6.512   3.112   0.020  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       -7.186   3.630   0.810  0.00  0.00    -0.191 NA
ENDBRANCH  28  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6