REMARK  Name = BDB022244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.236  -0.524  -0.514  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.140  -0.603   0.052  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.613  -1.808   0.601  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.905  -1.846   1.149  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.731  -0.717   1.135  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.295   0.480   0.575  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.213  -2.970   0.571  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.268  -4.226   1.123  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.466  -2.952  -0.016  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.205  -3.932  -0.107  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        1.004   0.515   0.029  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.946  -1.660  -0.548  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.673   0.732  -0.941  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.480   1.418  -0.208  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.131   0.446  -2.938  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -2.972   1.086  -1.559  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.154   0.895  -0.608  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -4.157   1.647   0.518  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -5.175   1.444   1.375  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -6.182   0.535   1.157  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -6.095  -0.176  -0.015  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -5.103  -0.016  -0.911  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.099   1.629   0.475  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.572   2.494   0.592  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.498   1.818   0.560  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        5.029   3.009   1.089  0.00  0.00    +0.099 A 
ATOM     27 CL   LIG    1        3.962   4.267   1.620  0.00  0.00    -0.078 Cl
ATOM     28  C   LIG    1        6.414   3.130   1.168  0.00  0.00    +0.149 A 
ATOM     29 CL   LIG    1        7.204   4.526   1.798  0.00  0.00    -0.060 Cl
ATOM     30  N   LIG    1        7.289   2.180   0.764  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        6.757   1.055   0.249  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        5.394   0.833   0.131  0.00  0.00    +0.044 A 
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5