REMARK  Name = BDB058176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.823  -0.073   0.794  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1       -0.159  -0.930   0.427  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.232  -0.429  -0.207  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.308   0.914  -0.464  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.348   1.712  -1.160  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -1.606   3.047  -1.360  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -0.484   3.084  -0.382  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1        0.738   3.768  -0.831  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1        0.351   4.906  -1.790  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -0.338   4.456  -2.973  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -1.056   3.222  -2.792  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1       -0.268   1.718  -0.053  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        0.813   1.254   0.570  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1        5.276   0.451   3.083  0.00  0.00    +0.047 C 
ATOM     15  C   LIG    1        4.156  -0.423   2.603  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        4.164  -1.809   2.785  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        3.162  -2.592   2.358  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        2.115  -2.000   1.729  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        1.990  -0.637   1.485  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        3.055   0.150   1.946  0.00  0.00    +0.019 A 
BRANCH  16  21
ATOM     21  N   LIG    1        5.225  -2.451   3.430  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        6.088  -2.271   2.928  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        5.318  -2.090   4.373  0.00  0.00    +0.144 HD
ENDBRANCH  16  21
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -2.293  -1.275  -0.593  0.00  0.00    -0.308 N 
ATOM     25  C   LIG    1       -1.839  -2.629  -1.021  0.00  0.00    +0.097 C 
ATOM     26  C   LIG    1       -2.416  -2.904  -2.413  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -2.266  -3.712  -0.008  0.00  0.00    +0.182 C 
ATOM     28  O   LIG    1       -3.681  -3.756   0.231  0.00  0.00    -0.376 OA
ATOM     29  C   LIG    1       -4.288  -2.458   0.296  0.00  0.00    +0.179 C 
ATOM     30  C   LIG    1       -3.295  -1.306   0.504  0.00  0.00    +0.135 C 
ENDBRANCH   3  24
TORSDOF 3