REMARK  Name = BDB021887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.187  -0.360  -0.093  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.873   0.561  -0.084  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.122  -0.018  -0.013  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.136  -0.949   0.386  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.674   1.773  -0.123  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.375   0.617  -0.130  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.505  -0.130   0.216  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        5.786   0.425   0.115  0.00  0.00    +0.046 A 
ATOM      9 CL   LIG    1        7.131  -0.562   0.567  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.963   1.738  -0.342  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        7.322   2.366  -0.462  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        4.826   2.477  -0.697  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.546   1.920  -0.595  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -4.257   0.868  -0.378  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -3.583   0.428  -1.598  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -2.064   0.575  -1.457  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.557   0.198  -0.052  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -2.573  -0.686   0.675  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -3.932   0.018   0.778  0.00  0.00    +0.086 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -6.398   1.702   0.593  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -5.703   1.021  -0.582  0.00  0.00    +0.081 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1       -0.006  -1.740  -0.561  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.311  -2.641   0.580  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        1.616  -2.674   0.987  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        1.690  -3.549   2.022  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        0.453  -4.089   2.284  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -0.438  -3.507   1.350  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5