REMARK  Name = BDB040524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.273  -0.716  -2.874  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.368  -0.616  -1.845  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.211  -1.697  -1.584  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.198  -1.617  -0.591  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -4.192  -3.025  -0.409  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.364  -0.453   0.192  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.514   0.635  -0.098  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.624   2.152   0.731  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.532   0.550  -1.094  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.411  -0.350   1.300  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.333  -1.485   2.319  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.274  -1.993   2.683  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.521  -1.874   2.892  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.457  -2.618   3.573  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.744  -1.261   2.793  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.692  -1.624   3.483  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.830  -0.074   1.866  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.825  -0.188   0.730  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.891  -0.103  -1.858  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.979  -1.067  -2.241  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.068  -2.010  -1.892  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.733   1.079  -2.157  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.128  -0.627  -1.064  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1        2.679  -1.501   0.129  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        3.934  -1.529  -2.028  0.00  0.00    +0.025 C 
BRANCH  23  31
ATOM     26  C   LIG    1        5.898   3.950   1.198  0.00  0.00    +0.154 C 
ATOM     27  N   LIG    1        5.262   2.791   0.600  0.00  0.00    -0.288 N 
ATOM     28  C   LIG    1        5.958   2.010  -0.307  0.00  0.00    +0.253 A 
ATOM     29  O   LIG    1        7.119   2.201  -0.660  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        5.218   0.847  -0.877  0.00  0.00    +0.075 A 
ATOM     31  C   LIG    1        3.947   0.568  -0.528  0.00  0.00    -0.024 A 
ATOM     32  C   LIG    1        3.307   1.468   0.426  0.00  0.00    +0.062 A 
ATOM     33  C   LIG    1        3.958   2.517   0.942  0.00  0.00    +0.197 A 
ATOM     34  F   LIG    1        3.308   3.317   1.815  0.00  0.00    -0.186 F 
ENDBRANCH  23  31
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5