REMARK  Name = BDB057198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.272   0.052  -0.281  0.00  0.00    +0.236 A 
ATOM      2  C   LIG    1       -1.581  -1.088  -0.720  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.188  -1.057  -0.627  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.471   0.034  -0.040  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -0.337   1.081   0.407  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -1.686   1.123   0.299  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.934   0.076   0.086  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.639  -0.974   0.686  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.020  -0.889   0.785  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1        4.741   0.155   0.331  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1        4.052   1.158  -0.249  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        2.673   1.166  -0.391  0.00  0.00    +0.028 A 
ENDBRANCH   4   7
BRANCH   2  13
ATOM     13  N   LIG    1       -2.216  -2.126  -1.426  0.00  0.00    -0.354 N 
ATOM     14  H   LIG    1       -3.217  -2.149  -1.228  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1       -1.770  -3.031  -1.330  0.00  0.00    +0.142 HD
ENDBRANCH   2  13
BRANCH   1  17
ATOM     16  C   LIG    1       -4.274   1.244  -0.033  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1       -3.651   0.027  -0.429  0.00  0.00    -0.478 OA
ENDBRANCH   1  17
TORSDOF 3