REMARK  Name = BDB024080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.249  -0.506   0.333  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.282   0.477   0.301  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        1.579   1.432   0.463  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        2.053  -1.706   0.179  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        6.001  -0.504  -0.033  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        4.644  -0.830  -0.131  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.661  -0.052   0.514  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.065   1.052   1.280  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        2.974   2.053   2.171  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.425   1.377   1.375  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        6.389   0.605   0.720  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1        7.794  -1.936  -1.243  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        6.988  -1.301  -0.702  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1       -0.105   0.292   0.113  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -0.734  -0.926  -0.110  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -2.074  -1.075  -0.291  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1       -2.856   0.037  -0.252  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -2.298   1.297  -0.032  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -0.919   1.423   0.150  0.00  0.00    +0.027 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.313  -0.158  -0.453  0.00  0.00    +0.089 A 
ATOM     21  N   LIG    1       -5.093   0.960  -0.420  0.00  0.00    -0.253 NA
ATOM     22  C   LIG    1       -6.424   0.809  -0.601  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -7.041  -0.410  -0.816  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.246  -1.546  -0.849  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.870  -1.421  -0.666  0.00  0.00    +0.030 A 
ENDBRANCH  17  20
ENDBRANCH   2  14
TORSDOF 4