REMARK  Name = BDB024077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.127  -0.268  -0.685  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.235  -0.242   0.367  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -1.609  -0.380   1.299  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.836  -0.143  -1.870  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -5.858   0.181  -0.985  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -4.478   0.240  -1.206  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.574  -0.405  -0.338  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.081  -1.130   0.751  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -3.093  -2.016   1.858  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.464  -1.186   0.971  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -6.348  -0.532   0.110  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1       -7.505   1.392  -2.582  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1       -6.763   0.850  -1.873  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.166  -0.094   0.283  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        0.889   0.093  -0.887  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.241   0.234  -0.935  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        2.935   0.196   0.229  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1        2.285   0.004   1.446  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        0.895  -0.139   1.470  0.00  0.00    +0.027 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.399   0.356   0.106  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        5.187   0.900   1.130  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        6.558   1.018   0.946  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        7.202   0.637  -0.174  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.438   0.128  -1.161  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        5.064  -0.027  -1.069  0.00  0.00    +0.030 A 
ENDBRANCH  17  20
ENDBRANCH   2  14
TORSDOF 4