REMARK  Name = BDB028526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.409  -0.618  -1.029  0.00  0.00    +0.037 C 
ATOM      2  C   LIG    1       -2.767  -0.700   0.368  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.867  -1.853   0.500  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -0.720  -1.870   1.274  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -0.607  -0.820   2.150  0.00  0.00    -0.297 N 
ATOM      6  H   LIG    1       -1.493  -0.521   2.527  0.00  0.00    +0.150 HD
ATOM      7  O   LIG    1        0.137  -2.743   1.177  0.00  0.00    -0.253 OA
ATOM      8  C   LIG    1       -2.115  -2.998  -0.374  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -3.595  -3.151  -0.696  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -4.174  -1.910  -1.380  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -7.339   2.280   0.291  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1       -6.142   2.012  -0.571  0.00  0.00    +0.038 A 
ATOM     13  N   LIG    1       -5.845   2.927  -1.520  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1       -4.773   2.681  -2.302  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -3.969   1.560  -2.180  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.273   0.617  -1.194  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1       -5.386   0.857  -0.378  0.00  0.00    +0.027 A 
ENDBRANCH   1  16
BRANCH   5  18
ATOM     18  C   LIG    1        0.504  -0.744   3.086  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.900  -0.618   2.455  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.851  -0.358   3.502  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        3.624   0.028   3.038  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        1.983   0.534   1.428  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.380   0.789   0.991  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.875  -0.313   0.135  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.209  -0.025  -0.524  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.682   1.291  -0.660  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.907   1.530  -1.298  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.646   0.470  -1.822  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.171  -0.835  -1.708  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.902   2.433  -0.063  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.958  -1.082  -1.065  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.446   2.054   0.236  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 6