REMARK  Name = BDB052986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.212  -0.922  -1.762  0.00  0.00    -0.223 N 
ATOM      2  C   LIG    1        0.262  -2.293  -1.956  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1        1.147  -2.873  -2.581  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -0.835  -3.076  -1.365  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.836  -2.435  -0.641  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -2.867  -3.203  -0.078  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.890  -4.592  -0.249  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.887  -5.225  -0.977  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.746  -0.951  -0.497  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1       -0.859  -4.470  -1.535  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -0.765  -0.281  -1.046  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -2.719  -0.267   0.233  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -3.497  -0.810   0.583  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.747   1.056   0.542  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1       -1.750   1.919   0.173  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1       -0.917   1.674  -0.355  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1       -1.950   3.187   0.574  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1       -3.119   3.132   1.225  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -3.692   4.358   1.829  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -3.656   1.820   1.233  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.286  -0.080  -2.286  0.00  0.00    +0.182 C 
BRANCH  21  25
ATOM     22  C   LIG    1        4.147   0.944   0.798  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        3.161   1.857   0.424  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.241   1.530  -0.579  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.295   0.285  -1.222  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        3.284  -0.629  -0.838  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.202  -0.298   0.162  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        5.074   2.382   2.446  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.101   1.138   1.759  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5