REMARK  Name = BDB062935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.713   0.868  -1.238  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.541   0.268  -0.790  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.059   0.620   0.439  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.497   1.500   1.103  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.146  -0.531  -1.845  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.070  -0.642  -2.917  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.721   0.651  -2.751  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.340  -0.086   0.968  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.622   0.366   2.429  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.438  -0.764   3.037  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.861  -2.030   2.422  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.037  -1.587   1.209  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.566   0.254   0.104  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -4.451  -0.719  -0.392  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.550  -0.353  -1.174  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -6.610  -1.570  -1.773  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.797   0.983  -1.474  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.940   1.964  -0.985  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.840   1.603  -0.204  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        1.891  -1.012  -0.240  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        1.931   0.166  -0.588  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        3.047   0.993  -0.533  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        2.897   1.967  -0.761  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.343   0.658  -0.083  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        4.726  -0.638   0.288  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        6.046  -0.859   0.711  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        6.940   0.201   0.754  0.00  0.00    +0.086 A 
ATOM     28  N   LIG    1        8.090  -0.382   1.205  0.00  0.00    -0.257 N 
ATOM     29  H   LIG    1        8.994   0.038   1.384  0.00  0.00    +0.191 HD
ATOM     30  N   LIG    1        7.936  -1.698   1.419  0.00  0.00    -0.067 NA
ATOM     31  C   LIG    1        6.603   1.504   0.394  0.00  0.00    +0.031 A 
ATOM     32  N   LIG    1        6.679  -2.004   1.119  0.00  0.00    -0.130 NA
ATOM     33  C   LIG    1        5.281   1.704  -0.029  0.00  0.00    +0.025 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 4