REMARK  Name = BDB009583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.243   0.265   0.456  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.150  -0.103   0.112  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -0.764   0.880  -0.932  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -0.287   2.332  -0.760  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        0.441   2.630   0.547  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.500   1.584   0.853  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        2.501   1.915   1.488  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.337  -1.546  -0.366  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.113  -2.437   0.396  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.308  -3.755  -0.026  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.730  -4.195  -1.214  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.969  -5.818  -1.732  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.041  -3.329  -1.983  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.236  -2.011  -1.562  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.286   0.803  -1.034  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.879   0.575  -2.289  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.266   0.498  -2.417  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.966   0.214  -3.963  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.087   0.649  -1.305  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.516   0.880  -0.055  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.126   0.957   0.080  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.150  -0.748   1.031  0.00  0.00    +0.111 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.620  -1.016  -1.037  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        3.586  -0.714   0.461  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.463  -1.719   1.212  0.00  0.00    +0.009 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   5  26
ATOM     26  C   LIG    1       -0.486   2.801   1.750  0.00  0.00    +0.133 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.170   3.665   2.792  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        0.474   4.839   2.667  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        0.402   3.003   3.940  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        0.896   3.647   4.490  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7