REMARK  Name = BDB052262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.485   0.035  -0.013  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.129  -0.159   0.306  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.814  -0.811   1.495  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.442  -0.847   1.512  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.879  -1.277   2.227  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.962  -0.215   0.388  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.771  -1.287   2.395  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.114  -1.081   2.061  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.974   0.211  -0.345  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.471  -0.431   0.878  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.540  -0.058   0.060  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.485  -0.336   0.974  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.829  -0.171   0.615  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.184   0.282  -0.665  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -1.158   0.556  -1.579  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.183   0.392  -1.218  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.638   0.462  -1.077  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -4.349  -0.826  -1.121  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -3.686  -1.595  -1.041  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -5.415  -0.945  -0.139  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -6.456   0.160  -0.315  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -5.839   1.549  -0.496  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -4.339   1.540  -0.225  0.00  0.00    +0.023 C 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1        6.866   1.642  -1.167  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        7.022   2.196  -1.999  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        7.091   2.062  -0.276  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.873   0.702  -1.271  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        5.367   0.439  -2.351  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3