REMARK  Name = BDB058289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.708   2.753  -2.025  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.964   1.778  -1.924  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1        1.425   0.510  -1.625  0.00  0.00    -0.234 N 
ATOM      4  H   LIG    1        0.745  -0.159  -1.240  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1        2.716   0.429  -1.078  0.00  0.00    -0.230 N 
ATOM      6  H   LIG    1        3.373   1.129  -1.411  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1        2.867  -0.253   0.115  0.00  0.00    +0.260 C 
ATOM      8  O   LIG    1        1.994  -0.976   0.588  0.00  0.00    -0.269 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.171  -0.090   0.812  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        4.939   1.078   0.706  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        6.155   1.177   1.387  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.604   0.121   2.179  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.836  -1.036   2.301  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.620  -1.140   1.624  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.527   1.859  -2.178  0.00  0.00    +0.112 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.348   1.276  -1.024  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.242  -0.194  -0.946  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1       -1.625  -0.699   0.391  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1       -3.115  -0.720   0.656  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -4.036  -0.789  -0.405  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.409  -0.849  -0.131  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.865  -0.862   1.187  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.954  -0.812   2.240  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.557  -0.738  -1.834  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -3.586  -0.746   1.977  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.035  -0.908  -1.964  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5