REMARK  Name = BDB060659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.359   0.850   0.349  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.673  -2.565  -1.066  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        2.675  -2.021  -1.878  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        1.930  -0.923  -1.437  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.159  -0.348  -0.175  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1        3.179  -0.901   0.623  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.925  -2.000   0.185  0.00  0.00    +0.019 A 
BRANCH   2   9
ATOM      8  N   LIG    1        5.052  -4.608  -1.875  0.00  0.00    -0.191 NA
ATOM      9  C   LIG    1        4.436  -3.691  -1.517  0.00  0.00    +0.099 C 
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  C   LIG    1        1.109   1.969  -0.710  0.00  0.00    +0.232 C 
ATOM     11  O   LIG    1        1.657   2.055  -1.805  0.00  0.00    -0.274 OA
ATOM     12  N   LIG    1        0.234   2.951  -0.313  0.00  0.00    -0.328 N 
ATOM     13  H   LIG    1       -0.435   2.707   0.411  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1       -0.050   3.619  -1.016  0.00  0.00    +0.145 HD
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  N   LIG    1        0.073   0.593   1.064  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1       -0.885  -0.253   0.323  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -0.623  -1.397   1.325  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        0.174  -0.384   2.154  0.00  0.00    +0.088 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -2.304   0.479   0.282  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.118   0.664   1.420  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.355   1.316   1.356  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.814   1.806   0.139  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -6.331   2.609   0.054  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -4.046   1.649  -1.008  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.811   0.995  -0.931  0.00  0.00    +0.006 A 
ENDBRANCH  16  19
ENDBRANCH   1  15
TORSDOF 5