REMARK  Name = LIG000546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.124   0.332  -0.323  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.122  -0.629  -0.098  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.206  -0.250  -0.208  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.448  -1.049  -0.002  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.500  -0.106  -0.355  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.999   1.169  -0.572  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.613   2.203  -0.745  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.536   1.061  -0.534  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.582   2.031  -0.760  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.762   1.653  -0.656  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.904  -0.403  -0.090  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.301   0.010   1.336  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.525  -0.016   2.290  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.632   0.301   1.531  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.897   0.537   2.478  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.661   0.180   0.632  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.829   0.315   0.985  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.288  -0.222  -0.776  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.867   0.201  -1.113  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        3.609   0.662  -0.303  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.461  -0.105  -0.205  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        2.586  -1.075   0.051  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.673   1.876  -0.450  0.00  0.00    -0.270 OA
BRANCH  20  27
ATOM     24  C   LIG    1        8.302   0.448   1.409  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        7.170  -0.181   0.651  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        5.953   0.497   0.505  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.881  -0.102  -0.171  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        5.032  -1.380  -0.722  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        6.238  -2.065  -0.567  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.297  -1.473   0.125  0.00  0.00    +0.003 A 
ENDBRANCH  20  27
ENDBRANCH   1  21
TORSDOF 3