REMARK  Name = BDB004686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.034  -0.642  -0.587  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.929  -0.690   0.289  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.666  -0.355  -0.238  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.576  -0.393   0.657  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.715  -0.770   1.937  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.946  -1.077   2.339  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.534  -0.011  -1.608  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.633   0.026  -2.453  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.053  -1.044   1.588  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.882  -0.285  -1.942  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.656  -1.305   1.139  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.888  -1.365   1.801  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.593  -1.542   1.431  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.434  -0.963  -0.161  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.371  -0.923  -0.952  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.713  -0.056   0.193  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.683   0.863  -0.240  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.768  -0.113   1.197  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.066   0.321   0.556  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -3.602   1.591   0.814  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -4.788   1.983   0.203  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1       -5.458   1.135  -0.673  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -4.928  -0.127  -0.942  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.738  -0.531  -0.335  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -5.266   3.228   0.491  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -6.099   3.358   0.008  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5