REMARK  Name = BDB009250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133  -0.764  -0.998  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.958  -1.305  -0.306  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.086  -1.770  -1.000  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.090  -1.706  -2.402  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.009  -1.155  -3.093  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.100  -0.678  -2.395  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.137   0.162   0.921  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.297  -0.267  -0.215  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.529  -0.358  -0.835  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.604  -1.003  -1.611  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.741  -0.058  -0.092  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.927   0.181  -1.025  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.196   0.474  -0.267  0.00  0.00    -0.045 A 
ATOM     14  C   LIG    1        6.530   1.793   0.076  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        7.698   2.057   0.792  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        8.100   3.680   1.201  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        8.541   1.018   1.179  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        8.213  -0.297   0.848  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        7.046  -0.568   0.131  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.260  -2.381  -0.270  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.706  -1.606   0.966  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.375  -0.276   0.809  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.651   0.297  -0.553  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.636   1.471  -0.527  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.309   2.434   0.607  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.361   1.724   1.961  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.715   0.366   1.940  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.453  -0.260   3.260  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.773   0.287   4.311  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.846  -1.486   3.230  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.648  -1.927   4.122  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.467  -2.165   2.115  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6