REMARK  Name = BDB046823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.321   0.977  -0.246  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        1.067  -0.174  -0.088  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        0.575  -1.033  -0.286  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.786   2.110  -0.321  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.273   0.018  -0.592  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.972  -0.263  -0.020  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1       -1.662  -1.423   0.871  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.103   0.745  -0.432  0.00  0.00    +0.106 A 
ATOM      9  N   LIG    1       -1.867   1.668  -1.106  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -1.486   2.531  -1.477  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -3.156   1.229  -1.266  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.114   2.040  -2.065  0.00  0.00    +0.064 C 
BRANCH   5  14
ATOM     13  C   LIG    1       -5.835  -0.263  -0.743  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1       -4.469  -0.836  -0.471  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -4.368  -2.023  -0.155  0.00  0.00    -0.292 OA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        2.454  -0.279   0.163  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.075  -1.542   0.052  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1        2.313  -2.785  -0.329  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1        4.454  -1.659   0.303  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        5.213  -0.544   0.654  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.600   0.703   0.762  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        3.222   0.829   0.544  0.00  0.00    +0.038 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.434   1.866   1.149  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        6.388   1.772   1.903  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.073   3.019   0.548  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        4.374   2.937  -0.129  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   2  16
TORSDOF 5