REMARK  Name = BDB004690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.043  -0.398  -0.999  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.918   0.029  -0.262  0.00  0.00    +0.085 A 
ATOM      3  C   LIG    1       -1.895  -0.920   0.011  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.763  -0.516   0.786  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.664   0.825   1.150  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.693   1.683   0.833  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.027  -2.235  -0.504  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.138  -2.631  -1.238  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -2.801   1.310   0.168  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1       -4.148  -1.716  -1.478  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.195   1.768  -0.834  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.383   2.116  -0.330  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.923   2.406  -1.118  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.193   0.500  -1.335  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.122   0.120  -2.040  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.264  -1.440   1.067  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -0.127  -2.354   1.280  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.378  -1.131   1.961  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.467  -0.317   1.294  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        2.788  -0.497  -0.063  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.813   0.254  -0.599  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        4.243   0.207  -1.889  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        5.300   1.188  -1.858  0.00  0.00    +0.466 C 
ATOM     24  O   LIG    1        5.492   1.786  -0.559  0.00  0.00    -0.453 OA
ATOM     25  C   LIG    1        4.526   1.151   0.158  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1        4.257   1.347   1.495  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        3.221   0.600   2.066  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4