REMARK  Name = BDB050146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.453  -0.702   1.302  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.283  -0.572   0.738  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.513  -1.684   0.808  0.00  0.00    -0.210 N 
ATOM      4  C   LIG    1        0.191  -2.893   1.408  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        1.157  -3.777   1.290  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.143  -3.126   0.597  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -1.069  -2.992   2.031  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.785  -1.828   0.274  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1       -1.898  -1.944   2.002  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.523  -0.828  -0.448  0.00  0.00    +0.068 A 
ATOM     11  N   LIG    1        3.739  -1.087  -1.037  0.00  0.00    -0.353 N 
ATOM     12  H   LIG    1        4.212  -1.978  -1.020  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        4.232   0.034  -1.667  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.301   1.051  -1.471  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.558   2.324  -2.015  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.740   2.522  -2.736  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        5.657   1.490  -2.920  0.00  0.00    +0.017 A 
ATOM     18 BR   LIG    1        5.099   4.228  -3.474  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        5.419   0.219  -2.385  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        2.237   0.499  -0.706  0.00  0.00    +0.037 A 
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  N   LIG    1       -2.276   0.397   1.238  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1       -1.783   1.156   0.759  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  CA  LIG    1       -3.638   0.314   0.694  0.00  0.00    +0.097 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.723   1.342   2.753  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -4.467   1.480   1.257  0.00  0.00    +0.021 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.562   0.377  -0.847  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.935   1.591  -1.264  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -2.761   1.508  -2.218  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6