REMARK  Name = BDB048837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.474   1.365  -0.083  0.00  0.00    -0.072 NA
ATOM      2  C   LIG    1       -1.088   0.154   0.142  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -1.882  -1.093   0.252  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.963  -2.148   0.169  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.389  -3.463   0.189  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.755  -3.714   0.340  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.671  -2.655   0.455  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.353  -1.695  -0.014  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1        1.070  -2.223   0.468  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.237  -1.327   0.407  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.365  -0.313   0.191  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.423   0.472   0.451  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.849   0.114   0.302  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.580   1.234   0.711  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.965   1.260   0.692  0.00  0.00    +0.063 A 
ATOM     16  C   LIG    1        5.637   0.130   0.227  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.914  -0.990  -0.218  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1        5.849   2.636   1.217  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1        2.719   2.253   1.109  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.006   3.146   1.484  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.513  -1.000  -0.190  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.390   1.871   1.024  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        0.456   2.513   1.458  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  24
ATOM     24  O   LIG    1       -2.864   1.510  -0.148  0.00  0.00    -0.317 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -4.678   2.894  -0.638  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1       -3.190   2.716  -0.718  0.00  0.00    +0.333 C 
ATOM     27  O   LIG    1       -2.441   3.530  -1.244  0.00  0.00    -0.249 OA
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 2