REMARK  Name = BDB050588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.717   0.380   0.619  0.00  0.00    +0.049 A 
ATOM      2  N   LIG    1        0.589   0.033   1.944  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1       -0.255   0.096   2.493  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.784  -0.407   2.439  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        2.727  -0.340   1.420  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        4.043  -0.753   1.724  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        4.279  -1.203   3.032  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        3.237  -1.214   3.950  0.00  0.00    +0.114 A 
ATOM      9  N   LIG    1        1.968  -0.825   3.704  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        2.038   0.150   0.272  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        0.700   3.155  -0.473  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -0.429   2.185  -0.694  0.00  0.00    -0.041 A 
ATOM     13  C   LIG    1       -0.406   0.878  -0.171  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.490   0.016  -0.409  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.599   0.430  -1.162  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1       -2.602   1.725  -1.692  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.532   2.591  -1.461  0.00  0.00    +0.004 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.743  -0.523  -1.436  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -5.062   0.043  -1.115  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -6.134  -0.777  -1.719  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -7.477  -0.577  -1.003  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -7.443  -1.022   0.360  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -6.144  -0.908   0.957  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -5.285   0.207   0.338  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  C   LIG    1        5.097  -0.710   0.708  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        5.492   0.505   0.126  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        6.503   0.547  -0.840  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        7.138  -0.632  -1.239  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        6.759  -1.849  -0.667  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        5.748  -1.885   0.299  0.00  0.00    +0.010 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.174  -0.592  -2.229  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1        9.014  -0.561  -3.030  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH   6  25
TORSDOF 5