REMARK  Name = BDB007072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162  -0.179   0.083  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.355  -0.322  -0.044  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.198  -0.112   1.056  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -3.588  -0.209   0.982  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -4.167  -0.525  -0.261  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -5.564  -0.620  -0.327  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -6.325  -0.402   0.816  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -5.664  -0.096   1.991  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -3.350  -0.732  -1.383  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.320   0.004   2.098  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -1.961  -0.627  -1.275  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -1.650   0.210   2.280  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -2.431   0.301   2.870  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.614   1.183  -0.449  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        0.962   1.383  -1.797  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        1.359   2.643  -2.257  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1        1.776   2.794  -3.928  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        1.405   3.725  -1.373  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1        1.884   5.310  -1.869  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        1.052   3.543  -0.034  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        0.658   2.284   0.424  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1        0.804  -1.296  -0.630  0.00  0.00    -0.317 N 
ATOM     23  H   LIG    1        0.272  -2.155  -0.508  0.00  0.00    +0.148 HD
BRANCH  22  31
ATOM     24  C   LIG    1        4.824   0.072   1.620  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1        4.141  -0.947   0.756  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        4.812  -2.063   0.259  0.00  0.00    +0.063 A 
ATOM     27 CL   LIG    1        6.471  -2.376   0.600  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.114  -2.958  -0.542  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        2.773  -2.711  -0.825  0.00  0.00    +0.082 A 
ATOM     30 CL   LIG    1        1.919  -3.839  -1.819  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        2.144  -1.574  -0.293  0.00  0.00    +0.138 A 
ATOM     32  N   LIG    1        2.829  -0.708   0.486  0.00  0.00    -0.234 NA
ENDBRANCH  22  31
ENDBRANCH   1  22
TORSDOF 5