REMARK  Name = BDB028729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.055  -0.480  -0.096  0.00  0.00    -0.318 N 
ATOM      2  C   LIG    1        0.470   0.916  -0.234  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1        1.998   0.931   0.056  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        2.749  -0.067  -0.728  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        4.107   0.175  -0.914  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1        4.641   1.214  -0.517  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        2.174  -1.419  -0.673  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        0.666  -1.428  -0.982  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.224   1.907   0.694  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.476   1.602   2.042  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.101   2.528   2.880  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.470   3.773   2.380  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.238   4.917   3.411  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.221   4.100   1.049  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.600   3.172   0.209  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   1  17
ATOM     16  C   LIG    1       -2.171  -1.460   0.616  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.458  -0.635  -0.291  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -2.152  -0.059  -1.364  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -3.528  -0.256  -1.511  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -4.244  -1.024  -0.582  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -3.553  -1.620   0.483  0.00  0.00    +0.037 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.729  -1.233  -0.738  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -6.380  -1.387   0.449  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -6.352  -0.201  -1.373  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.016  -2.346  -1.468  0.00  0.00    -0.166 F 
ENDBRANCH  20  22
BRANCH  16  26
ATOM     26  N   LIG    1       -1.519  -1.959   1.762  0.00  0.00    -0.357 N 
ATOM     27  H   LIG    1       -1.854  -2.863   2.072  0.00  0.00    +0.142 HD
ATOM     28  H   LIG    1       -0.510  -1.906   1.627  0.00  0.00    +0.142 HD
ENDBRANCH  16  26
ENDBRANCH   1  17
BRANCH   5  29
ATOM     29  C   LIG    1        4.931  -0.834  -1.673  0.00  0.00    +0.216 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.769  -1.709  -0.802  0.00  0.00    +0.314 C 
ATOM     31  O   LIG    1        6.914  -2.061  -1.037  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.124  -2.201   0.273  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        5.808  -2.738   0.729  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7