REMARK  Name = BDB062150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.789  -0.631  -1.754  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -2.140  -0.732  -1.443  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -2.739  -0.942  -2.669  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -4.135  -1.203  -2.924  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.769  -0.904  -3.630  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.578  -0.726  -3.109  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.848  -0.721  -0.158  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.705   0.348   0.234  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -4.383   0.271   1.482  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.241   1.337   1.853  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -5.425   2.453   1.037  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.754   2.538  -0.171  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.173  -0.863   2.309  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.315  -1.893   1.910  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.906   1.502  -0.563  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.660  -1.821   0.688  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.827  -1.000   3.582  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -5.356  -1.117   4.608  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        0.922  -2.939  -1.233  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        1.116  -1.624  -0.523  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        0.303  -0.500  -0.801  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.566   0.728  -0.158  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -0.236   1.974  -0.418  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.599   0.799   0.793  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.409  -0.305   1.082  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        2.155  -1.511   0.416  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        3.532  -0.205   2.095  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.846   0.204   1.595  0.00  0.00    -0.294 NA
ATOM     29  C   LIG    1        4.930   1.577   1.074  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1        5.189   1.633  -0.440  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1        6.403   0.972  -0.824  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1        6.724  -0.148   0.016  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1        5.490  -0.765   0.695  0.00  0.00    +0.113 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 5