REMARK  Name = LIG000050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505  -2.149  -1.371  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.740  -1.543  -1.196  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.091  -0.298  -0.517  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.442  -0.132  -0.653  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.008  -1.198  -1.298  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.182  -1.425  -1.520  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.276   0.415   0.042  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.915  -2.090  -1.679  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.935  -3.281  -2.373  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.706  -3.916  -2.574  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.505  -3.356  -2.078  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.179   0.921   0.029  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.763   0.362   1.331  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.307  -0.618   1.917  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.812   1.073   1.868  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.191   0.716   2.735  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.486   2.132   1.312  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.441   2.646   1.885  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.948   2.665   0.003  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.280   1.564  -0.809  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1        1.953  -1.942  -0.909  0.00  0.00    +0.224 C 
ATOM     22  N   LIG    1        0.638  -1.524  -0.831  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        0.459  -0.656  -0.324  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.334  -2.949  -1.509  0.00  0.00    -0.275 OA
BRANCH  21  28
ATOM     25  C   LIG    1        4.665   0.565   1.048  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        3.294   0.994   0.508  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        3.560   0.223  -0.791  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        2.916  -1.030  -0.182  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        4.288  -1.461   0.360  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1        2.655  -0.259   1.120  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        4.025  -0.689   1.658  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        4.928  -0.208  -0.251  0.00  0.00    +0.015 C 
BRANCH  25  33
ATOM     33  C   LIG    1        5.625   1.476   1.771  0.00  0.00    +0.314 C 
ATOM     34  O   LIG    1        5.353   2.098   2.798  0.00  0.00    -0.250 OA
BRANCH  33  36
ATOM     35  C   LIG    1        7.788   2.391   1.807  0.00  0.00    +0.280 C 
ATOM     36  O   LIG    1        6.843   1.541   1.155  0.00  0.00    -0.468 OA
ENDBRANCH  33  36
ENDBRANCH  25  33
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 5