REMARK  Name = BDB058766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.269   2.423   0.504  0.00  0.00    +0.244 A 
ATOM      2  C   LIG    1       -1.622   3.543   0.973  0.00  0.00    +0.121 A 
ATOM      3 CL   LIG    1       -2.413   4.985   1.451  0.00  0.00    -0.076 Cl
ATOM      4  C   LIG    1       -0.258   3.425   1.035  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.417   2.314   0.663  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.297   1.275   0.205  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -1.633   1.296   0.101  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        0.302   0.088  -0.206  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.422  -0.555  -0.494  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.620  -0.372  -0.253  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        2.726   0.380   0.144  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.027  -0.139   0.065  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.264  -1.432  -0.417  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        3.161  -2.192  -0.820  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        1.863  -1.666  -0.738  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1        5.636  -1.931  -0.482  0.00  0.00    +0.179 A 
ATOM     17  N   LIG    1        6.019  -3.174  -0.909  0.00  0.00    -0.239 N 
ATOM     18  H   LIG    1        5.460  -3.947  -1.245  0.00  0.00    +0.192 HD
ATOM     19  N   LIG    1        7.349  -3.310  -0.842  0.00  0.00    -0.046 NA
ATOM     20  N   LIG    1        7.786  -2.152  -0.373  0.00  0.00    -0.023 NA
ATOM     21  N   LIG    1        6.742  -1.290  -0.144  0.00  0.00    -0.108 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   1  22
ATOM     22  O   LIG    1       -3.652   2.479   0.371  0.00  0.00    -0.434 OA
BRANCH  22  25
ATOM     23  F   LIG    1       -3.519   0.994   2.749  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -4.264   0.561   1.721  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1       -4.323   1.291   0.533  0.00  0.00    +0.165 A 
ATOM     26  C   LIG    1       -5.146   0.860  -0.508  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.877  -0.322  -0.368  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.797  -1.062   0.815  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.991  -0.616   1.864  0.00  0.00    +0.042 A 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 5