REMARK  Name = BDB058559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.880  -2.812   1.823  0.00  0.00    +0.104 C 
ATOM      2  N   LIG    1       -2.681  -2.082   1.400  0.00  0.00    -0.305 NA
ATOM      3  C   LIG    1       -3.075  -0.858   0.682  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -1.972  -0.089  -0.086  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.617  -0.057   0.644  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1        0.218  -1.317   0.359  0.00  0.00    +0.075 C 
ATOM      7  C   LIG    1       -0.319  -2.600   1.002  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.766  -2.948   0.657  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.465   1.317  -0.417  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1       -2.590   2.304   0.574  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.051   3.582   0.253  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.394   3.890  -1.061  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.276   2.922  -2.055  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.816   1.643  -1.736  0.00  0.00    +0.004 A 
ENDBRANCH   4   9
BRANCH   6  15
ATOM     15  N   LIG    1        1.582  -1.109   0.858  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1        1.625  -1.016   1.863  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.558  -0.458   0.128  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1        3.764  -0.139   0.786  0.00  0.00    -0.282 N 
ATOM     19  C   LIG    1        4.001  -0.543   2.160  0.00  0.00    +0.155 C 
ATOM     20  C   LIG    1        4.798   0.556   0.149  0.00  0.00    +0.279 A 
ATOM     21  O   LIG    1        5.857   0.884   0.677  0.00  0.00    -0.265 OA
ATOM     22  C   LIG    1        4.493   0.854  -1.205  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        3.321   0.500  -1.795  0.00  0.00    +0.097 A 
ATOM     24  C   LIG    1        3.328   0.934  -3.128  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.546   1.560  -3.322  0.00  0.00    +0.085 A 
ATOM     26  N   LIG    1        5.250   1.505  -2.139  0.00  0.00    -0.355 N 
ATOM     27  H   LIG    1        6.176   1.881  -1.974  0.00  0.00    +0.166 HD
ATOM     28  N   LIG    1        2.311  -0.173  -1.127  0.00  0.00    -0.214 NA
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 3