REMARK  Name = BDB060553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.350   0.048  -0.099  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        2.078   1.412  -0.230  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.790   1.903   0.014  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        0.504   3.597  -0.161  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.241   1.031   0.377  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        0.029  -0.331   0.530  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.317  -0.817   0.287  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        4.781   0.109  -0.722  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        3.616  -0.532  -0.326  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        3.679  -1.533  -0.188  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.910   1.305  -0.950  0.00  0.00    -0.275 OA
BRANCH   8  13
ATOM     12  C   LIG    1        7.228  -0.202  -1.281  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1        5.935  -0.873  -0.851  0.00  0.00    +0.093 C 
ENDBRANCH   8  13
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  O   LIG    1       -1.492   1.546   0.646  0.00  0.00    -0.454 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.556   0.929   0.014  0.00  0.00    +0.136 A 
ATOM     16  C   LIG    1       -3.606   0.403   0.802  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.711  -0.210   0.155  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -5.743  -0.744   0.965  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -5.695  -0.676   2.359  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.615  -0.071   2.983  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.723  -0.251  -1.263  0.00  0.00    +0.049 A 
ATOM     22 CL   LIG    1       -6.022  -0.980  -2.151  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -3.684   0.302  -2.019  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -3.583   0.463   2.213  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -2.604   0.899  -1.382  0.00  0.00    +0.048 A 
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 4