REMARK  Name = BDB054462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.912  -0.635   0.745  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.420  -0.449   0.689  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        1.086  -1.057   1.685  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.533  -1.810   2.700  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        1.626  -2.224   3.481  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        2.794  -1.774   3.011  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1       -0.843  -1.949   2.682  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        2.440  -1.063   1.910  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1       -1.553  -1.352   1.695  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.481  -0.406   1.112  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        3.494  -0.942  -0.330  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        4.800  -0.641  -1.062  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1        4.856   0.718  -1.753  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        4.225   1.898  -1.022  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        4.439   1.913   0.488  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        3.373   1.120   1.243  0.00  0.00    +0.027 C 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.620  -0.008  -0.286  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1       -0.939   0.464  -0.868  0.00  0.00    +0.155 HD
BRANCH  17  23
ATOM     19  C   LIG    1       -6.423  -0.826  -0.320  0.00  0.00    +0.149 C 
ATOM     20  N   LIG    1       -5.134  -0.245  -0.631  0.00  0.00    -0.344 N 
ATOM     21  C   LIG    1       -4.845   0.602  -1.684  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1       -3.463   0.745  -1.694  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -2.929   0.043  -0.591  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -3.984  -0.550   0.055  0.00  0.00    +0.109 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.766   1.190  -2.628  0.00  0.00    +0.258 C 
ATOM     26  O   LIG    1       -5.506   1.421  -3.804  0.00  0.00    -0.269 OA
ATOM     27  N   LIG    1       -6.973   1.576  -2.118  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1       -7.032   1.796  -1.135  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -7.512   2.160  -2.744  0.00  0.00    +0.145 HD
ENDBRANCH  21  25
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4