REMARK  Name = LIG000507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.178   0.211  -0.766  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1        0.806   0.069  -0.622  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.037  -0.291   0.524  0.00  0.00    +0.255 C 
ATOM      4  N   LIG    1       -1.335  -0.299   0.082  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -1.417   0.067  -1.228  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -2.403   0.233  -1.918  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.365  -0.538   1.644  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.049   0.274  -1.694  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.398   0.626  -2.954  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.775   0.768  -3.124  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.655   0.561  -2.043  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.470  -0.474   0.981  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.055   0.907   1.298  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.370   1.921   1.421  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.412   0.954   1.474  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.770   1.855   1.764  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.293   0.280   0.672  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.451   0.668   0.549  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.743  -0.877  -0.125  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.513  -1.495   0.521  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  23
ATOM     21  C   LIG    1        4.556  -2.037  -0.450  0.00  0.00    +0.070 C 
ATOM     22  C   LIG    1        4.170  -0.932   0.459  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1        3.121   0.014   0.311  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.225   0.806   1.434  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1        2.501   1.978   1.964  0.00  0.00    +0.090 C 
ATOM     26  O   LIG    1        4.255   0.357   2.201  0.00  0.00    -0.359 OA
ATOM     27  N   LIG    1        4.857  -0.726   1.589  0.00  0.00    -0.083 NA
ENDBRANCH   1  23
TORSDOF 2