REMARK  Name = BDB054885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.411   1.992  -0.954  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.508   1.191  -1.665  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.203   1.694  -2.769  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1       -0.001   3.023  -3.154  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.900   3.825  -2.455  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.604   3.312  -1.361  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.001   1.958   0.985  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        2.071   1.392   0.138  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.811   0.428   0.330  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.393   3.118   0.936  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1        3.405  -1.378   1.119  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1        3.632  -0.322   2.055  0.00  0.00    +0.117 A 
ATOM     13  N   LIG    1        4.090  -0.695   3.289  0.00  0.00    -0.234 N 
ATOM     14  C   LIG    1        4.335   0.413   4.047  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        3.997   1.517   3.301  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        4.270  -1.961   3.693  0.00  0.00    -0.155 NA
ATOM     17  C   LIG    1        3.991  -2.846   2.790  0.00  0.00    +0.245 A 
ATOM     18  C   LIG    1        3.500   1.064   2.036  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        3.576  -2.605   1.504  0.00  0.00    -0.217 NA
BRANCH  11  20
ATOM     20  N   LIG    1        3.024  -1.187  -0.179  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1        3.508  -0.431  -0.656  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        3.100  -2.053  -0.708  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -1.187   0.818  -3.503  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.406   0.647  -2.740  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -2.835   1.500  -2.416  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1       -2.583  -0.461  -1.936  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1       -3.773  -0.376  -1.246  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1       -4.409   0.336  -1.571  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1       -1.774  -1.377  -1.886  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -4.266  -1.265  -0.269  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1       -3.526  -2.321   0.267  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1       -4.091  -3.146   1.242  0.00  0.00    +0.043 A 
ATOM     33 CL   LIG    1       -3.173  -4.446   1.900  0.00  0.00    -0.083 Cl
ATOM     34  C   LIG    1       -5.391  -2.929   1.693  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -6.134  -1.875   1.167  0.00  0.00    +0.003 A 
ATOM     36  C   LIG    1       -5.572  -1.046   0.192  0.00  0.00    +0.023 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6