REMARK  Name = BDB057838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.856   2.983   3.035  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.866   2.251   2.212  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.526   1.299   1.260  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -2.465   0.633   0.564  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.756   0.934   0.795  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -4.177   1.863   1.669  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -3.217   2.494   2.364  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.781   0.227   0.002  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -4.697  -1.148  -0.340  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1       -5.681  -1.712  -1.181  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -6.765  -0.962  -1.633  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.882   0.370  -1.264  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.902   0.954  -0.461  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.557  -2.022   0.140  0.00  0.00    +0.191 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.960  -3.385   0.278  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -4.763  -3.375   0.828  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.172   0.985   1.058  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.361   1.836   0.904  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.086   0.010   0.006  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.582  -0.159  -0.143  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.254   0.346  -1.262  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.639   0.195  -1.386  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.391  -0.457  -0.395  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        3.709  -0.954   0.726  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.324  -0.807   0.852  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.847  -0.610  -0.527  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.726  -0.224   0.487  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        8.076  -0.339   0.431  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        8.589  -0.869  -0.698  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.818  -1.286  -1.768  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.433  -1.153  -1.678  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 7