REMARK  Name = BDB060353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.456  -0.179   0.183  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.293   0.838  -0.763  0.00  0.00    +0.133 A 
ATOM      3  F   LIG    1        3.169   1.850  -0.845  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.204   0.840  -1.628  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.259  -0.185  -1.542  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.426  -1.228  -0.622  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.523  -1.224   0.244  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        7.167   0.293   1.163  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        5.841   0.054   1.470  0.00  0.00    -0.226 N 
ATOM     10  C   LIG    1        5.722  -0.218   2.821  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        4.431  -0.469   3.339  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        3.377  -0.449   2.514  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.642  -0.168   1.075  0.00  0.00    +0.095 A 
ATOM     14  C   LIG    1        6.981  -0.170   3.374  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1        7.417  -0.430   4.995  0.00  0.00    -0.081 Cl
ATOM     16  N   LIG    1        4.811   0.080   0.568  0.00  0.00    -0.166 NA
ATOM     17  C   LIG    1        7.886   0.147   2.343  0.00  0.00    +0.055 A 
BRANCH   8  21
ATOM     18  N   LIG    1        6.832   0.767  -1.156  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        5.833   0.663  -1.002  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        7.178   1.039  -2.064  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        7.715   0.632  -0.129  0.00  0.00    +0.260 C 
ATOM     22  O   LIG    1        8.913   0.807  -0.336  0.00  0.00    -0.269 OA
ENDBRANCH   8  21
ENDBRANCH   1  13
BRANCH   5  23
ATOM     23  C   LIG    1       -0.870  -0.190  -2.497  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -2.167  -0.294  -2.009  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -2.559  -0.068  -0.611  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -3.958   0.554  -0.474  0.00  0.00    +0.127 C 
ATOM     27  N   LIG    1       -4.984  -0.200  -1.198  0.00  0.00    -0.298 N 
ATOM     28  C   LIG    1       -6.334  -0.195  -0.880  0.00  0.00    +0.219 C 
ATOM     29  O   LIG    1       -7.173  -0.847  -1.491  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -4.545  -0.966  -2.368  0.00  0.00    +0.127 C 
ATOM     31  C   LIG    1       -3.256  -0.415  -2.985  0.00  0.00    +0.127 C 
ATOM     32  O   LIG    1       -0.602  -0.104  -3.692  0.00  0.00    -0.270 OA
BRANCH  28  33
ATOM     33  C   LIG    1       -6.757   0.663   0.262  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1       -8.033   0.354   1.015  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -6.708   0.121   1.674  0.00  0.00    +0.013 C 
ENDBRANCH  28  33
ENDBRANCH   5  23
TORSDOF 4