REMARK  Name = BDB027978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.056  -1.774  -0.290  0.00  0.00    +0.106 C 
ATOM      2  N   LIG    1       -0.257  -0.357  -0.025  0.00  0.00    -0.290 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.658  -0.047  -0.457  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -1.995   1.463  -0.351  0.00  0.00    +0.236 C 
ATOM      5  O   LIG    1       -1.519   2.317  -1.099  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -2.922   1.826   0.587  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.062   2.826   0.653  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.104   1.147   0.690  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.143   1.718   1.007  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.075  -0.296   0.258  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.668  -0.855   0.386  0.00  0.00    +0.037 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        0.746   0.505  -0.701  0.00  0.00    +0.120 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.178   0.266  -0.253  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        3.169  -0.077  -1.184  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.487  -0.282  -0.771  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.828  -0.141   0.574  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.853   0.205   1.507  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.536   0.411   1.096  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 3