REMARK  Name = BDB064261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.863  -3.400   0.695  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.828  -2.173   0.655  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.963  -1.391   0.627  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -2.183  -0.126  -0.067  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -3.448  -0.768  -0.725  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1       -3.310  -1.884   0.360  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.786   0.131  -0.689  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -6.027  -0.363  -0.231  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -7.182   0.428  -0.219  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -7.127   1.739  -0.678  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -8.543   2.713  -0.666  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -5.930   2.260  -1.153  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.781   1.462  -1.160  0.00  0.00    +0.008 A 
ENDBRANCH   5   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.487  -1.481   0.653  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.693  -0.289   1.345  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        1.955   0.323   1.325  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.045  -0.232   0.634  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        2.807  -1.442  -0.037  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.553  -2.067  -0.026  0.00  0.00    +0.015 A 
BRANCH  17  20
ATOM     20  N   LIG    1        4.277   0.376   0.617  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        5.488  -0.231   0.066  0.00  0.00    +0.136 C 
ATOM     22  C   LIG    1        6.629   0.659   0.585  0.00  0.00    +0.133 C 
ATOM     23  C   LIG    1        5.962   2.021   0.695  0.00  0.00    +0.052 C 
ATOM     24  C   LIG    1        4.567   1.683   1.206  0.00  0.00    +0.108 C 
BRANCH  22  25
ATOM     25  O   LIG    1        7.742   0.721  -0.292  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        8.118  -0.174  -0.352  0.00  0.00    +0.210 HD
ENDBRANCH  22  25
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   5  27
ATOM     27  O   LIG    1       -3.211  -1.229  -2.088  0.00  0.00    -0.381 OA
ATOM     28  H   LIG    1       -3.988  -1.773  -2.302  0.00  0.00    +0.211 HD
ENDBRANCH   5  27
TORSDOF 5