REMARK  Name = BDB060784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.252  -0.004   0.298  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.609  -1.167   0.846  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1       -2.073  -1.261   0.482  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.855  -1.147   1.635  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -4.234  -1.189   1.612  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -4.852  -1.363   0.371  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -4.080  -1.497  -0.795  0.00  0.00    +0.041 A 
ATOM      8 CL   LIG    1       -4.870  -1.712  -2.310  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1       -2.052  -1.000   2.752  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -2.372  -0.902   3.704  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -2.683  -1.455  -0.750  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -0.706  -1.000   2.414  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1        0.221  -0.883   3.201  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        0.108  -2.431   0.550  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -0.159  -2.762  -0.381  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1        1.562  -2.064   0.517  0.00  0.00    +0.168 C 
ATOM     17  C   LIG    1        1.553  -0.696  -0.192  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1       -2.260   3.330  -2.723  0.00  0.00    +0.071 C 
ATOM     19  C   LIG    1       -1.464   2.239  -2.111  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -1.176   1.987  -0.747  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -0.404   0.841  -0.754  0.00  0.00    +0.174 A 
ATOM     22  O   LIG    1       -0.260   0.434  -2.046  0.00  0.00    -0.357 OA
ATOM     23  N   LIG    1       -0.914   1.300  -2.892  0.00  0.00    -0.081 NA
BRANCH  20  24
ATOM     24  N   LIG    1       -1.601   2.725   0.397  0.00  0.00    +0.062 N 
ATOM     25  O   LIG    1       -1.469   2.182   1.500  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1       -2.085   3.845   0.198  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH   1  21
BRANCH  17  27
ATOM     27  C   LIG    1        2.779   0.166   0.041  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        3.246   0.460   1.331  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.370   1.269   1.513  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.037   1.797   0.411  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.580   1.520  -0.875  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.457   0.712  -1.060  0.00  0.00    +0.004 A 
ENDBRANCH  17  27
BRANCH  16  33
ATOM     33  C   LIG    1        2.481  -3.073  -0.207  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        2.466  -4.277   0.408  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        3.762  -2.657  -0.253  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        2.063  -3.265  -1.482  0.00  0.00    -0.169 F 
ENDBRANCH  16  33
TORSDOF 4