REMARK  Name = BDB028273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.747   0.499   0.503  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -4.381   1.029   0.262  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -4.027   2.199   0.930  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.761   2.767   0.748  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.841   2.154  -0.104  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -2.178   0.968  -0.766  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -4.997   2.828   1.841  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.732   3.863   2.441  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -6.204   2.187   1.975  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.884   2.606   2.602  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -3.452   0.409  -0.584  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -6.589   1.056   1.325  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.231   0.321  -1.649  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.030  -0.122  -1.291  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        0.784  -0.107  -0.007  0.00  0.00    +0.163 C 
ATOM     16  N   LIG    1        2.151  -0.610  -0.170  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1        2.337  -1.698  -1.139  0.00  0.00    +0.131 C 
ATOM     18  C   LIG    1        1.855  -1.292  -2.523  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        3.029  -0.334   0.879  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        2.678   0.353   1.839  0.00  0.00    -0.275 OA
ATOM     21  N   LIG    1        0.542  -0.696  -2.422  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1       -0.285  -0.674  -3.479  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1       -1.369  -0.056  -3.006  0.00  0.00    +0.143 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.457  -0.884   0.781  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        5.231  -0.213  -0.368  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.441   0.469   0.264  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        6.047   0.677   1.714  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        5.288  -0.598   2.041  0.00  0.00    +0.013 C 
ENDBRANCH  19  24
ENDBRANCH   6  13
BRANCH   1  29
ATOM     29  C   LIG    1       -6.216  -0.757  -0.226  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.636  -1.934   0.424  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1       -6.043  -2.773   0.009  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -5.942  -1.942   1.400  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 4