REMARK  Name = BDB049863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.781  -1.131   0.318  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -1.363  -2.494  -0.135  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.008  -2.807  -0.096  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.444  -4.077  -0.483  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.465  -5.035  -0.928  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.819  -4.721  -0.999  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.963  -1.785   0.322  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        2.158  -2.065   0.395  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        0.448  -0.530   0.597  0.00  0.00    -0.220 N 
ATOM     10  C   LIG    1       -2.270  -3.455  -0.609  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.887  -0.237   0.640  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -3.142  -0.843   0.414  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -3.751  -1.650   0.432  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1       -4.420   3.968   0.883  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -4.373   2.490   0.804  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1       -5.489   1.767   0.957  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1       -5.068   0.499   0.819  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -5.758  -0.237   0.900  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1       -3.724   0.376   0.586  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -3.247   1.667   0.570  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1        1.361   0.540   0.973  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.033   1.124  -0.266  0.00  0.00    +0.184 C 
ATOM     23  O   LIG    1        1.420   1.423  -1.291  0.00  0.00    -0.290 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.489   1.424  -0.207  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        3.954   2.574  -0.859  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.311   2.899  -0.826  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.209   2.072  -0.153  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.754   0.915   0.479  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.396   0.586   0.451  0.00  0.00    +0.011 A 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5