REMARK  Name = BDB057196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.865  -1.138  -0.816  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -2.284  -2.048  -1.942  0.00  0.00    +0.270 A 
ATOM      3  O   LIG    1       -3.472  -2.205  -2.217  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -1.277  -2.681  -2.626  0.00  0.00    -0.327 N 
ATOM      5  H   LIG    1       -1.570  -3.275  -3.392  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        0.056  -2.530  -2.337  0.00  0.00    +0.096 A 
ATOM      7  C   LIG    1        0.465  -1.739  -1.326  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.552  -1.020  -0.561  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.912  -1.585  -1.052  0.00  0.00    +0.077 A 
ATOM     10  N   LIG    1        2.340  -0.318  -0.884  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1        3.639  -0.131  -0.618  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        4.525  -1.132  -0.498  0.00  0.00    -0.223 NA
ATOM     13  C   LIG    1        4.063  -2.382  -0.658  0.00  0.00    +0.116 A 
ATOM     14  C   LIG    1        2.752  -2.673  -0.938  0.00  0.00    +0.048 A 
BRANCH  11  15
ATOM     15  N   LIG    1        4.042   1.198  -0.456  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        3.193   1.734  -0.304  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        5.223   1.497   0.343  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        5.903   2.832   0.212  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        6.583   1.591  -0.289  0.00  0.00    +0.024 C 
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   7   9
BRANCH   1  22
ATOM     20  O   LIG    1       -1.808   0.819   1.401  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -2.836   0.384   0.894  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1       -2.902  -0.512  -0.153  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -3.814  -0.726  -0.551  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -4.150   0.867   1.408  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -5.295   0.058   1.404  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -6.503   0.556   1.899  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.571   1.854   2.405  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.431   2.656   2.428  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.221   2.163   1.935  0.00  0.00    +0.013 A 
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 5