REMARK  Name = BDB051824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.702   1.759  -2.904  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.613   2.539  -3.599  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.317   3.793  -3.965  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.870   2.025  -3.906  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.218   0.727  -3.509  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.314  -0.071  -2.792  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.037   0.451  -2.528  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -2.328  -0.418   1.215  0.00  0.00    +0.302 C 
ATOM      9  N   LIG    1       -1.904   0.880   0.937  0.00  0.00    -0.291 N 
ATOM     10  C   LIG    1       -2.786   1.969   0.490  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -2.478   2.354  -0.971  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -1.040   2.320  -1.270  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.651   2.256  -2.603  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -1.408   2.487  -3.541  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -0.142   2.315  -0.108  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -0.466   1.131   0.816  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -1.577  -1.363   1.444  0.00  0.00    -0.265 OA
BRANCH   8  20
ATOM     18  C   LIG    1       -5.816  -1.221   2.571  0.00  0.00    +0.132 C 
ATOM     19  N   LIG    1       -4.434  -0.784   2.509  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1       -3.841  -0.666   1.249  0.00  0.00    +0.301 C 
ATOM     21  O   LIG    1       -4.437  -0.730   0.179  0.00  0.00    -0.265 OA
ATOM     22  C   LIG    1       -3.650  -0.912   3.727  0.00  0.00    +0.132 C 
ENDBRANCH   8  20
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  C   LIG    1        2.676  -1.475  -2.334  0.00  0.00    +0.090 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.551  -1.658  -0.833  0.00  0.00    +0.046 A 
ATOM     25  N   LIG    1        3.552  -1.267   0.093  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1        3.288  -1.323   1.466  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        4.370  -0.833   2.168  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1        5.357  -0.502   1.227  0.00  0.00    +0.078 A 
ATOM     29 CL   LIG    1        6.889   0.114   1.626  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        2.030  -1.812   1.978  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1        1.732  -1.834   3.167  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        1.158  -2.244   1.004  0.00  0.00    -0.326 N 
ATOM     33  H   LIG    1        0.226  -2.495   1.337  0.00  0.00    +0.168 HD
ATOM     34  C   LIG    1        4.852  -0.799  -0.017  0.00  0.00    +0.133 A 
ATOM     35 CL   LIG    1        5.690  -0.691  -1.501  0.00  0.00    -0.062 Cl
ATOM     36  C   LIG    1        1.399  -2.168  -0.344  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4