REMARK  Name = BDB057444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.694   1.531   0.324  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        1.269   2.790   0.790  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.118   2.982   0.811  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.616   4.204   1.249  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.223   5.237   1.675  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.598   5.050   1.672  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.987   2.043   0.433  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -0.490   0.864   0.025  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        2.121   3.835   1.235  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.818   0.576  -0.035  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.445  -0.186  -0.385  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.837  -0.002  -0.271  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.761  -0.992  -0.655  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -3.286  -2.215  -1.175  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -4.205  -3.205  -1.560  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -5.579  -2.990  -1.432  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.048  -1.784  -0.920  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.905  -2.413  -1.296  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -5.146  -0.792  -0.534  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.004  -1.415  -0.907  0.00  0.00    +0.012 A 
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        3.081   1.254   0.255  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        3.582   2.022  -0.174  0.00  0.00    +0.155 HD
BRANCH  21  28
ATOM     23  C   LIG    1        4.302  -3.565   0.240  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1        4.206  -2.096   0.118  0.00  0.00    +0.035 A 
ATOM     25  N   LIG    1        5.210  -1.332  -0.406  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1        6.107  -1.640  -0.766  0.00  0.00    +0.189 HD
ATOM     27  N   LIG    1        4.939  -0.018  -0.420  0.00  0.00    -0.158 NA
ATOM     28  C   LIG    1        3.707   0.070   0.088  0.00  0.00    +0.146 A 
ATOM     29  C   LIG    1        3.214  -1.203   0.457  0.00  0.00    +0.068 A 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 3