REMARK  Name = BDB031023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.977  -0.725   1.311  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        1.242   0.236   1.468  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.011  -1.324   0.596  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        3.119  -0.572   0.455  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        4.176  -1.100  -0.218  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.135  -2.386  -0.723  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        5.162  -2.952  -1.369  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        2.978  -3.088  -0.508  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        1.917  -2.585   0.150  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        5.346  -0.204  -0.349  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.655   0.710   0.680  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        6.766   1.563   0.550  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        7.584   1.541  -0.580  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1        8.640   2.436  -0.570  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1        8.620   3.122   0.550  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        7.276   0.636  -1.612  0.00  0.00    +0.029 A 
ATOM     17  S   LIG    1        7.360   2.752   1.648  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1        6.169  -0.217  -1.487  0.00  0.00    +0.012 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -3.130  -1.108   0.728  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -2.211  -1.668  -0.139  0.00  0.00    +0.126 A 
ATOM     21  N   LIG    1       -0.869  -1.543   0.009  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -0.401  -0.875   1.086  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -1.276  -0.315   2.022  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -2.655  -0.434   1.846  0.00  0.00    +0.018 A 
BRANCH  19  26
ATOM     25  O   LIG    1       -4.983  -2.458   0.467  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1       -4.567  -1.303   0.482  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1       -5.365  -0.185   0.265  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -4.843   1.159  -0.016  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -5.953   2.188  -0.296  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -6.912   1.788  -1.336  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1       -6.540   2.020  -2.257  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -7.208   0.342  -1.304  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1       -6.793  -0.378  -0.008  0.00  0.00    +0.123 C 
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4