REMARK  Name = BDB060011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.725  -0.067  -2.659  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1       -0.967  -0.973  -1.951  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.272  -0.769  -0.677  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.077  -2.188  -0.148  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.131  -3.006  -1.423  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.806  -2.336  -2.428  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.333  -0.401  -3.679  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.084  -0.053  -0.861  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.762   0.180   0.317  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.242   0.147   1.186  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.518   0.294  -1.956  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.980   0.960   0.316  0.00  0.00    +0.141 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.722   0.809   1.617  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.352   1.495   2.785  0.00  0.00    +0.046 A 
ATOM     15 CL   LIG    1        1.996   2.566   2.816  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        4.064   1.314   3.975  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.149   0.441   4.016  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.521  -0.258   2.870  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.811  -0.078   1.681  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  20
ATOM     20  O   LIG    1       -0.171  -4.373  -1.195  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -1.117  -4.451  -0.983  0.00  0.00    +0.210 HD
ENDBRANCH   5  20
BRANCH   1  22
ATOM     22  C   LIG    1       -1.827   1.356  -2.140  0.00  0.00    +0.173 C 
BRANCH  22  27
ATOM     23  C   LIG    1       -6.340   1.607   0.230  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1       -4.915   1.580  -0.166  0.00  0.00    +0.081 A 
ATOM     25  N   LIG    1       -3.955   1.711   0.758  0.00  0.00    -0.083 NA
ATOM     26  O   LIG    1       -2.759   1.651   0.068  0.00  0.00    -0.359 OA
ATOM     27  C   LIG    1       -3.007   1.466  -1.256  0.00  0.00    +0.146 A 
ATOM     28  C   LIG    1       -4.365   1.423  -1.458  0.00  0.00    +0.071 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 6