REMARK  Name = BDB000102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.552   0.911   0.407  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.133   1.296   0.737  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.146   0.472   0.258  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -2.725   0.783   0.542  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.052  -0.324  -0.143  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.965  -1.183  -0.752  0.00  0.00    +0.087 A 
ATOM      7  N   LIG    1       -2.407  -2.205  -1.389  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1       -1.082  -1.980  -1.169  0.00  0.00    -0.263 N 
ATOM      9  H   LIG    1       -0.388  -2.624  -1.543  0.00  0.00    +0.190 HD
ATOM     10  C   LIG    1       -0.821  -0.845  -0.418  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -4.359  -0.760  -0.553  0.00  0.00    +0.165 C 
ATOM     12  O   LIG    1       -4.883   2.301   1.401  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.442  -0.412  -0.071  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1        0.517   0.410   0.514  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        1.575  -1.121  -0.434  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        1.565  -2.186  -1.048  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.873  -0.532  -0.003  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.065   0.852   0.088  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.302   1.359   0.498  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.355   0.494   0.821  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        6.692   1.043   1.226  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.166  -0.887   0.697  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.932  -1.398   0.287  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  10  13
TORSDOF 2