REMARK  Name = BDB011089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.805   0.869  -1.040  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.769   0.156  -0.360  0.00  0.00    +0.114 A 
ATOM      3  C   LIG    1        2.723   1.112  -0.038  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1        3.832   0.869   0.679  0.00  0.00    -0.203 NA
ATOM      5  C   LIG    1        3.924  -0.411   1.064  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        3.071  -1.417   0.796  0.00  0.00    -0.222 NA
ATOM      7  N   LIG    1        2.409   2.333  -0.548  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        1.972  -1.158   0.052  0.00  0.00    +0.101 A 
ATOM      9  C   LIG    1        1.262   2.164  -1.167  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        5.115  -0.736   1.881  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        6.004   0.232   2.159  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1        5.964   1.197   1.871  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1        6.968  -0.325   2.903  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1        7.950   0.245   3.349  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1        6.665  -1.653   3.082  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1        5.431  -1.883   2.390  0.00  0.00    -0.051 NA
ENDBRANCH   5  10
BRANCH   8  17
ATOM     17  C   LIG    1        1.115  -2.297  -0.249  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        0.999  -2.795  -1.556  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        0.174  -3.888  -1.826  0.00  0.00    +0.042 A 
ATOM     20 CL   LIG    1        0.020  -4.456  -3.443  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -0.531  -4.515  -0.803  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.402  -4.053   0.505  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.421  -2.958   0.779  0.00  0.00    +0.010 A 
ENDBRANCH   8  17
BRANCH   9  24
ATOM     24  C   LIG    1        0.557   3.322  -1.940  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -0.350   4.257  -1.185  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        0.980   4.745  -1.677  0.00  0.00    +0.012 C 
ENDBRANCH   9  24
BRANCH   1  27
ATOM     27  C   LIG    1       -0.464   0.386  -1.552  0.00  0.00    +0.127 C 
BRANCH  27  32
ATOM     28  C   LIG    1       -5.333  -0.035   1.679  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -4.283   0.291   0.619  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1       -3.774  -0.990  -0.051  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -2.688  -0.692  -1.082  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -1.518   0.093  -0.468  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -2.029   1.375   0.204  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -3.121   1.081   1.232  0.00  0.00    +0.003 C 
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 5