REMARK  Name = BDB021951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.226  -1.747   0.683  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        1.382  -1.251   1.292  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.534   0.115   1.232  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.018   0.562   0.499  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.187  -2.000   1.841  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.503   0.915   1.886  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.647   2.266   1.494  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1        1.821   2.880   0.394  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1        3.591   3.080   2.146  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        4.381   2.572   3.175  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.227   1.248   3.564  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1        5.191   0.626   4.849  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        3.296   0.424   2.931  0.00  0.00    +0.043 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -2.833   0.810  -0.819  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.840   0.609   0.641  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.562  -0.032   1.196  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.936  -0.979   0.167  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.669  -0.282  -1.178  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -1.480   1.007  -1.339  0.00  0.00    +0.086 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.116   1.873  -2.678  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -3.768   1.879  -1.194  0.00  0.00    +0.081 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1        0.142  -3.207   0.551  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.200  -3.608  -0.883  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        1.330  -3.277  -1.575  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        1.169  -3.735  -2.842  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -0.051  -4.355  -2.980  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -0.678  -4.276  -1.713  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5