REMARK  Name = BDB048479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.001   0.677  -0.813  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.119   0.015  -0.304  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        2.417   0.453  -0.621  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        2.584   1.555  -1.468  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.472   2.216  -1.986  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.187   1.778  -1.660  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.579  -0.250  -0.082  0.00  0.00    +0.100 A 
ATOM      8  C   LIG    1        4.747   0.309   0.529  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        5.544  -0.783   0.852  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        6.793  -0.667   1.471  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        7.235   0.624   1.776  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.457   1.741   1.477  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        4.832  -1.876   0.444  0.00  0.00    -0.276 N 
ATOM     14  H   LIG    1        5.098  -2.850   0.526  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1        5.209   1.600   0.856  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.651  -1.591  -0.121  0.00  0.00    -0.173 NA
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1       -1.762  -0.673   0.336  0.00  0.00    +0.241 C 
ATOM     18  N   LIG    1       -1.334   0.298  -0.542  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -2.045   0.847  -1.005  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -1.089  -1.327   1.121  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -3.970  -0.898  -0.766  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1       -3.235  -0.859   0.354  0.00  0.00    +0.074 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.427  -1.133  -0.783  0.00  0.00    +0.332 C 
ATOM     24  O   LIG    1       -6.061  -1.142  -1.827  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.925  -1.307   0.463  0.00  0.00    -0.462 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -8.091  -0.237   0.606  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1       -7.337  -1.552   0.543  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 6