REMARK  Name = BDB052243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.472   0.452  -0.135  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.118   0.650   0.190  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.805   1.518   1.232  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.435   1.498   1.295  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.871   2.043   1.928  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.954   0.627   0.345  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.764   2.211   1.977  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.104   1.998   1.640  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.964   0.103  -0.326  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.459   1.134   0.602  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.533   0.345   0.114  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.158  -0.370  -1.032  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.184  -0.661  -1.296  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.192  -0.249  -0.416  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1       -1.821   0.465   0.731  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.476   0.757   0.995  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.643  -0.574  -0.723  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -4.323  -1.366   0.401  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1       -5.754  -1.747   0.006  0.00  0.00    +0.081 C 
ATOM     20  N   LIG    1       -6.442  -0.745  -0.810  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -7.442  -0.769  -0.616  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.914   0.598  -0.613  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -4.458   0.687  -1.075  0.00  0.00    +0.023 C 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1        6.889  -1.304  -0.984  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        7.152  -1.527  -0.034  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        7.046  -2.011  -1.691  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.856  -0.441  -1.244  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        5.313  -0.421  -2.339  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3