REMARK  Name = BDB017295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.783  -1.060   0.649  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.369  -0.128  -0.212  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.765   0.057  -0.249  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.617  -0.705   0.589  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        5.029  -0.493   0.511  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        5.551   0.493  -0.358  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        4.690   1.227  -1.170  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.998  -1.629   1.462  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.315   1.006  -1.117  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.611  -1.803   1.490  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.695  -1.291   0.727  0.00  0.00    +0.168 C 
ATOM     12  O   LIG    1       -1.131  -1.971   1.655  0.00  0.00    -0.292 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -2.878  -1.508  -0.630  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -1.618  -0.666  -0.324  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -1.983   0.774   0.113  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -3.416   0.977   0.429  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -3.853  -0.130   1.301  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -3.906  -1.443   0.512  0.00  0.00    +0.019 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.598   2.262   1.147  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -3.350   3.470   0.200  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.833   3.414  -0.206  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -5.100   2.669   1.115  0.00  0.00    +0.019 C 
ENDBRANCH  16  19
BRANCH  13  24
ATOM     23  C   LIG    1       -3.754  -3.707  -1.591  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.545  -2.950  -1.059  0.00  0.00    +0.001 C 
ENDBRANCH  13  24
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  O   LIG    1        6.913   0.651  -0.339  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.460   1.750  -1.058  0.00  0.00    +0.277 C 
ENDBRANCH   6  25
BRANCH   5  27
ATOM     27  C   LIG    1        5.997  -1.280   1.381  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.188  -0.668   2.704  0.00  0.00    +0.067 C 
ATOM     29  N   LIG    1        6.339  -0.210   3.761  0.00  0.00    -0.196 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7