REMARK  Name = BDB004579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.185   2.384   0.691  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.159   1.371   0.781  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.444   1.562   0.269  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -2.760   2.787  -0.331  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.802   3.799  -0.427  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.519   3.596   0.076  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.446   0.573   0.281  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -4.355   0.854  -0.056  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -3.411  -0.656   0.879  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -4.450  -1.503   0.588  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -4.497  -2.261   1.259  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -2.567  -1.040   1.686  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -5.394  -1.517  -0.452  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -6.537  -2.305  -0.267  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -7.517  -2.387  -1.261  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -7.344  -1.698  -2.458  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -8.544  -1.801  -3.686  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -6.197  -0.938  -2.670  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -5.219  -0.855  -1.671  0.00  0.00    +0.025 A 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.205   2.155   1.244  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.907   1.197   0.396  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.363   0.344   0.299  0.00  0.00    +0.148 HD
BRANCH  21  26
ATOM     23  C   LIG    1        5.958  -1.432  -0.026  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        5.223  -0.424   0.633  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        3.937  -0.129   0.139  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        3.207   0.860   0.834  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1        3.719   1.522   1.883  0.00  0.00    -0.220 NA
ATOM     28  C   LIG    1        4.945   1.177   2.267  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        3.438  -0.811  -1.000  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        4.178  -1.801  -1.632  0.00  0.00    +0.002 A 
ATOM     31  N   LIG    1        5.715   0.239   1.704  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        5.434  -2.117  -1.139  0.00  0.00    +0.015 A 
BRANCH  23  36
ATOM     33  N   LIG    1        8.002  -1.063   1.288  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        8.869  -1.413   1.671  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        7.506  -0.326   1.781  0.00  0.00    +0.145 HD
ATOM     36  C   LIG    1        7.329  -1.852   0.402  0.00  0.00    +0.244 C 
ATOM     37  O   LIG    1        7.850  -2.878  -0.025  0.00  0.00    -0.270 OA
ENDBRANCH  23  36
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6