REMARK  Name = BDB059082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.139   0.114  -0.119  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1       -0.820   0.322  -1.208  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -2.254   0.157  -0.716  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -2.502  -1.249  -0.126  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -3.178  -2.140  -1.141  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -4.548  -2.184  -0.868  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -5.420  -2.865  -1.699  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.894  -3.557  -2.792  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.516  -3.535  -3.054  0.00  0.00    +0.000 A 
ATOM     10  N   LIG    1       -4.923  -1.378   0.234  0.00  0.00    -0.343 N 
ATOM     11  H   LIG    1       -5.654  -1.825   0.783  0.00  0.00    +0.146 HD
ATOM     12  C   LIG    1       -2.647  -2.815  -2.231  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -3.644  -1.194   0.939  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -1.215  -1.858   0.457  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1       -0.282  -0.769   0.978  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  25
ATOM     16  O   LIG    1        3.431   2.688  -2.106  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        2.982   2.173  -1.087  0.00  0.00    +0.256 A 
ATOM     18  C   LIG    1        3.660   2.275   0.218  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.936   3.057   0.296  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1        5.701   2.814   1.599  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.755   2.788   2.794  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        3.696   1.695   2.633  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        3.087   1.638   1.251  0.00  0.00    +0.053 A 
ATOM     24  N   LIG    1        1.928   0.907   1.162  0.00  0.00    -0.220 NA
ATOM     25  C   LIG    1        1.312   0.835   0.019  0.00  0.00    +0.198 A 
ATOM     26  N   LIG    1        1.819   1.463  -1.086  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1        1.380   1.357  -1.982  0.00  0.00    +0.172 HD
ENDBRANCH   1  25
TORSDOF 1