REMARK  Name = BDB024084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.603  -0.490  -0.154  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.687   0.527  -0.319  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        2.048   1.464  -0.461  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        2.331  -1.675   0.008  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        6.241  -0.621   0.823  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        4.873  -0.891   0.706  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        4.044  -0.099  -0.114  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.616   0.961  -0.834  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        3.731   1.974  -1.919  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.987   1.229  -0.713  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        6.795   0.445   0.113  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1        7.748  -2.078   2.353  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        7.069  -1.432   1.668  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.282   0.402  -0.363  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -0.428  -0.783  -0.217  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1       -1.784  -0.874  -0.263  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1       -2.500   0.251  -0.460  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.860   1.480  -0.622  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -0.467   1.556  -0.572  0.00  0.00    +0.028 A 
BRANCH  17  20
ATOM     20  N   LIG    1       -3.907   0.197  -0.510  0.00  0.00    -0.311 N 
ATOM     21  C   LIG    1       -4.513   0.949   0.617  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1       -5.913   0.405   0.943  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1       -5.904  -0.973   1.348  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -4.872  -1.745   0.702  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1       -4.455  -1.173  -0.660  0.00  0.00    +0.134 C 
ENDBRANCH  17  20
ENDBRANCH   2  14
TORSDOF 4