REMARK  Name = BDB007061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743   0.678   0.315  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.689   0.552  -0.217  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.567  -0.421   0.286  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.878  -0.582  -0.168  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.335   0.267  -1.189  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.649   0.100  -1.639  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        5.453  -0.885  -1.074  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        4.922  -1.684  -0.069  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        5.760  -2.756   0.560  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        2.477   1.239  -1.726  0.00  0.00    +0.010 A 
ATOM     11  N   LIG    1        3.653  -1.542   0.385  0.00  0.00    -0.248 NA
ATOM     12  C   LIG    1        1.171   1.373  -1.248  0.00  0.00    +0.010 A 
BRANCH   3  13
ATOM     13  O   LIG    1        1.138  -1.282   1.272  0.00  0.00    -0.504 OA
ATOM     14  H   LIG    1        1.917  -1.855   1.446  0.00  0.00    +0.292 HD
ENDBRANCH   3  13
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.040   2.078   0.881  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -0.691   2.362   2.226  0.00  0.00    +0.048 A 
ATOM     17 CL   LIG    1        0.044   1.198   3.280  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -0.923   3.619   2.805  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.502   4.637   2.064  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -1.844   4.398   0.741  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.616   3.143   0.149  0.00  0.00    +0.048 A 
ATOM     22 CL   LIG    1       -2.093   3.055  -1.515  0.00  0.00    -0.083 Cl
ENDBRANCH   1  15
BRANCH   1  23
ATOM     23  N   LIG    1       -1.677   0.247  -0.736  0.00  0.00    -0.318 N 
ATOM     24  H   LIG    1       -1.211  -0.392  -1.381  0.00  0.00    +0.148 HD
BRANCH  23  28
ATOM     25  C   LIG    1       -3.981  -3.878  -1.158  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -3.900  -2.527  -0.514  0.00  0.00    +0.040 A 
ATOM     27  N   LIG    1       -2.866  -1.731  -0.875  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1       -2.763  -0.515  -0.305  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1       -3.695  -0.050   0.613  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -4.756  -0.874   0.979  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.861  -2.136   0.410  0.00  0.00    +0.023 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 5