REMARK  Name = BDB060354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.403   1.055   0.387  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.174   1.379  -0.197  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.004   1.325   0.574  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        0.066   0.981   1.922  0.00  0.00    +0.136 A 
ATOM      5  F   LIG    1       -1.036   0.976   2.685  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.281   0.637   2.504  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        2.447   0.663   1.735  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.851  -0.516  -0.650  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        5.741   0.296  -0.811  0.00  0.00    -0.226 N 
ATOM     10  C   LIG    1        5.957   1.168  -1.864  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        4.943   2.105  -2.169  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        3.807   2.100  -1.462  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.679   1.076  -0.387  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        7.198   0.898  -2.390  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1        7.969   1.667  -3.695  0.00  0.00    -0.081 Cl
ATOM     16  N   LIG    1        4.604   0.223  -0.070  0.00  0.00    -0.166 NA
ATOM     17  C   LIG    1        7.760  -0.154  -1.638  0.00  0.00    +0.055 A 
BRANCH   8  21
ATOM     18  N   LIG    1        7.939  -2.465   0.161  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        7.949  -3.235   0.816  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        8.333  -2.616  -0.755  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        6.980  -1.514   0.385  0.00  0.00    +0.260 C 
ATOM     22  O   LIG    1        6.321  -1.582   1.417  0.00  0.00    -0.269 OA
ENDBRANCH   8  21
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  C   LIG    1       -1.268   1.710  -0.062  0.00  0.00    +0.249 C 
ATOM     24  N   LIG    1       -2.344   0.831  -0.044  0.00  0.00    -0.294 N 
ATOM     25  C   LIG    1       -3.611   1.284  -0.623  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -4.821   0.507  -0.089  0.00  0.00    +0.127 C 
ATOM     27  N   LIG    1       -4.668  -0.945  -0.229  0.00  0.00    -0.298 N 
ATOM     28  C   LIG    1       -5.724  -1.841  -0.263  0.00  0.00    +0.219 C 
ATOM     29  O   LIG    1       -5.587  -3.044  -0.454  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -3.304  -1.460  -0.357  0.00  0.00    +0.127 C 
ATOM     31  C   LIG    1       -2.274  -0.581   0.365  0.00  0.00    +0.127 C 
ATOM     32  O   LIG    1       -1.302   2.804  -0.624  0.00  0.00    -0.270 OA
BRANCH  28  33
ATOM     33  C   LIG    1       -7.092  -1.287  -0.066  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1       -8.098  -2.055   0.764  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -7.530  -0.771   1.286  0.00  0.00    +0.013 C 
ENDBRANCH  28  33
ENDBRANCH   3  23
TORSDOF 4