REMARK  Name = BDB032258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.146   1.080  -0.736  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.019   0.626   0.197  0.00  0.00    +0.121 A 
ATOM      3  N   LIG    1       -1.331   1.703   0.638  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -0.018   1.813   0.327  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1        0.690   0.885  -0.418  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -0.020  -0.226  -0.866  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.373  -0.357  -0.551  0.00  0.00    +0.044 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -5.649   0.502  -0.014  0.00  0.00    +0.039 C 
ATOM      9  C   LIG    1       -4.319  -0.235  -0.252  0.00  0.00    +0.112 C 
ATOM     10  N   LIG    1       -3.348   0.517   0.537  0.00  0.00    -0.315 N 
ATOM     11  C   LIG    1       -3.980   1.597   1.286  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -5.440   1.155   1.357  0.00  0.00    +0.027 C 
BRANCH   8  14
ATOM     13  C   LIG    1       -7.062  -1.486   0.845  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1       -6.929  -0.344  -0.166  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1       -7.045  -0.908  -1.588  0.00  0.00    +0.041 C 
BRANCH  14  16
ATOM     16  O   LIG    1       -8.056   0.516   0.049  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -8.040   1.217  -0.626  0.00  0.00    +0.210 HD
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1        2.917  -0.051  -0.234  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        2.593  -0.366   0.679  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.311  -0.042  -0.325  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.037  -0.965   0.444  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        6.450  -1.087   0.378  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        7.152  -0.252  -0.519  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        8.560  -0.364  -0.576  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1        9.271  -1.236   0.159  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        8.578  -2.033   1.001  0.00  0.00    +0.133 A 
ATOM     27  C   LIG    1        6.415   0.639  -1.329  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.199  -1.998   1.151  0.00  0.00    +0.067 A 
ATOM     29 CL   LIG    1        6.479  -3.083   2.287  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1        5.022   0.730  -1.240  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     31  N   LIG    1        9.332   0.435  -1.425  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        9.170   1.418  -1.241  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       10.302   0.181  -1.252  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7