REMARK  Name = BDB011624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.329   1.191  -0.080  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.783   0.379  -0.131  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.588  -0.612  -0.283  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.314   2.417  -0.054  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.109   0.707  -0.138  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.116  -0.340  -0.489  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.830  -1.516  -0.656  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.369   0.274  -0.511  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.208   1.613  -0.049  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.987   2.605  -0.801  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.826   1.810   0.137  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.342   3.121   0.666  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.594  -0.446  -0.160  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.982  -1.477  -1.239  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.819  -2.639  -0.699  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.696  -2.212   0.469  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.869  -1.692   1.646  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.525  -1.087   1.232  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        3.349   2.360  -0.105  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.933   0.934  -0.087  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.744  -0.198  -0.069  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        2.908  -1.289  -0.115  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1        1.591  -0.904  -0.124  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.593   0.436  -0.094  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.173  -0.328  -0.009  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1        6.042   0.403   0.997  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        7.536   0.378   0.667  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        7.981  -1.029   0.258  0.00  0.00    +0.097 C 
ATOM     29  C   LIG    1        7.197  -1.489  -0.976  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1        5.729  -1.179  -0.897  0.00  0.00    -0.019 C 
BRANCH  28  31
ATOM     31  C   LIG    1        9.472  -1.085  -0.013  0.00  0.00    +0.393 C 
ATOM     32  F   LIG    1        9.830  -0.255  -1.015  0.00  0.00    -0.170 F 
ATOM     33  F   LIG    1        9.856  -2.334  -0.354  0.00  0.00    -0.170 F 
ATOM     34  F   LIG    1       10.176  -0.730   1.085  0.00  0.00    -0.170 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5