REMARK  Name = BDB056064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.755  -2.972  -0.422  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1        1.343  -3.137  -0.489  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        0.980  -4.425  -0.574  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        2.155  -5.076  -0.547  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        2.143  -6.090  -0.592  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        3.245  -4.253  -0.453  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.296  -1.983  -0.468  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1       -1.054  -2.194  -0.537  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -1.486  -3.104  -0.605  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.679  -0.976  -0.492  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -0.635  -0.062  -0.393  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -0.929   1.306  -0.322  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -2.272   1.709  -0.352  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.315   0.772  -0.447  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -3.024  -0.604  -0.527  0.00  0.00    +0.032 A 
ATOM     16  N   LIG    1        0.582  -0.699  -0.380  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.758   1.242  -0.489  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.608   0.607   0.533  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -7.037   0.919   0.311  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -7.433   2.357   0.691  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -7.082   2.655   2.046  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -5.680   2.456   2.266  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -5.255   1.021   1.911  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  24
ATOM     24  N   LIG    1        3.382  -1.778  -0.327  0.00  0.00    -0.296 N 
ATOM     25  H   LIG    1        2.775  -0.952  -0.240  0.00  0.00    +0.154 HD
BRANCH  24  28
ATOM     26  C   LIG    1        6.098   0.471  -0.070  0.00  0.00    +0.273 A 
ATOM     27  N   LIG    1        4.841  -0.007  -0.107  0.00  0.00    -0.197 NA
ATOM     28  C   LIG    1        4.701  -1.329  -0.299  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        5.802  -2.139  -0.458  0.00  0.00    +0.084 A 
ATOM     30  C   LIG    1        7.032  -1.522  -0.400  0.00  0.00    +0.136 A 
ATOM     31 CL   LIG    1        8.475  -2.434  -0.589  0.00  0.00    -0.062 Cl
ATOM     32  N   LIG    1        7.237  -0.216  -0.205  0.00  0.00    -0.200 NA
BRANCH  26  34
ATOM     33  C   LIG    1        8.003   2.520   0.175  0.00  0.00    +0.204 C 
ATOM     34  S   LIG    1        6.254   2.227   0.192  0.00  0.00    +0.029 S 
ATOM     35  O   LIG    1        5.791   2.531   1.536  0.00  0.00    -0.167 OA
ATOM     36  O   LIG    1        5.704   2.912  -0.967  0.00  0.00    -0.167 OA
ENDBRANCH  26  34
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 6