REMARK  Name = BDB062940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.139  -1.030  -1.882  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.753  -0.328  -0.942  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.353   0.833  -0.292  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        0.827   1.205  -0.415  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -2.106  -0.859  -1.020  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.982  -2.133  -1.841  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.821  -1.821  -2.775  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.144  -3.160  -1.277  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.151  -1.941  -1.137  0.00  0.00    +0.239 C 
ATOM     10  N   LIG    1        2.035  -1.205  -0.369  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        1.891  -0.197  -0.356  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.071  -1.713   0.423  0.00  0.00    +0.126 A 
ATOM     13  N   LIG    1        3.304  -3.034   0.467  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        4.325  -3.424   1.260  0.00  0.00    +0.110 A 
ATOM     15  C   LIG    1        5.103  -2.543   1.994  0.00  0.00    +0.084 A 
ATOM     16  N   LIG    1        6.011  -3.328   2.650  0.00  0.00    -0.275 N 
ATOM     17  H   LIG    1        6.746  -3.030   3.281  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        5.882  -4.646   2.403  0.00  0.00    -0.180 NA
ATOM     19  C   LIG    1        4.874  -1.172   1.960  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        4.850  -4.698   1.550  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        3.818  -0.770   1.139  0.00  0.00    +0.046 A 
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -1.408   1.617   0.604  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -2.047   0.808   1.795  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -1.881   2.051   2.681  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -0.731   2.477   1.758  0.00  0.00    +0.021 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -2.357   2.492  -0.382  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -1.797   3.448  -1.260  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -2.580   4.222  -2.123  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -3.959   4.062  -2.128  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -4.931   5.009  -3.184  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -4.555   3.139  -1.278  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -3.762   2.369  -0.418  0.00  0.00    +0.006 A 
ENDBRANCH  22  26
ENDBRANCH   3  22
TORSDOF 4