REMARK  Name = BDB060348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.894   1.061  -1.081  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.662   1.422   0.247  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.496   0.981   0.884  0.00  0.00    +0.133 A 
ATOM      4  F   LIG    1        0.701   1.365   2.152  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        1.430   0.187   0.212  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.208  -0.141  -1.133  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        0.049   0.298  -1.779  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        2.682  -0.287   0.861  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1        3.774  -0.311   0.153  0.00  0.00    -0.166 NA
ATOM     10  N   LIG    1        4.878  -0.772   0.824  0.00  0.00    -0.226 N 
ATOM     11  C   LIG    1        4.902  -1.208   2.136  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        6.189  -1.593   2.432  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        6.969  -1.386   1.278  0.00  0.00    +0.055 A 
ATOM     14 CL   LIG    1        6.782  -2.210   3.899  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        3.693  -1.182   2.867  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        6.146  -0.873   0.283  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        2.578  -0.738   2.277  0.00  0.00    +0.032 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.556  -0.515  -1.055  0.00  0.00    +0.260 C 
ATOM     19  O   LIG    1        7.704  -0.640  -1.473  0.00  0.00    -0.269 OA
ATOM     20  N   LIG    1        5.598  -0.004  -1.876  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        4.660   0.171  -1.528  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.869   0.316  -2.793  0.00  0.00    +0.145 HD
ENDBRANCH  16  18
ENDBRANCH   5   8
BRANCH   1  26
ATOM     23  C   LIG    1       -5.171   0.133  -0.306  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -3.669   0.404  -0.155  0.00  0.00    +0.139 C 
ATOM     25  N   LIG    1       -3.336   1.317  -1.243  0.00  0.00    -0.295 N 
ATOM     26  C   LIG    1       -2.094   1.539  -1.803  0.00  0.00    +0.247 C 
ATOM     27  O   LIG    1       -1.933   2.102  -2.882  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1       -4.537   1.766  -1.923  0.00  0.00    +0.111 C 
ATOM     29  C   LIG    1       -5.667   1.420  -0.969  0.00  0.00    +0.052 C 
BRANCH  23  31
ATOM     30  C   LIG    1       -7.123  -0.507   0.879  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -5.763  -0.099   0.966  0.00  0.00    -0.378 OA
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 4