REMARK  Name = BDB016249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.188   2.869   0.523  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.072   1.345   0.423  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.662   1.000   0.393  0.00  0.00    -0.337 N 
ATOM      4  H   LIG    1       -1.066   1.693  -0.064  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.294  -0.279  -0.080  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -2.053  -1.457   0.077  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.535  -2.671  -0.413  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.278  -2.743  -1.009  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        0.494  -1.596  -1.137  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1       -3.322  -1.578   0.680  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.752  -2.494   0.647  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.121  -0.707   1.344  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.210  -1.123   1.754  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.001  -0.374  -0.681  0.00  0.00    +0.144 A 
ATOM     15  C   LIG    1       -3.693   0.695   1.640  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  O   LIG    1        0.676   0.826  -0.771  0.00  0.00    -0.485 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.928   0.871  -1.460  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.106   0.423  -0.623  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.101   0.544   0.774  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.210   0.150   1.526  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.340  -0.358   0.889  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.364  -0.469  -0.500  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.256  -0.076  -1.253  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
TORSDOF 3