REMARK  Name = LIG000053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.020   0.604  -0.016  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        1.057  -0.171   0.643  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.225   0.751  -0.598  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.455   1.516  -1.528  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.246  -0.107   0.024  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1       -2.630  -0.190  -0.308  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.146  -1.142   0.562  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -4.486  -1.515   0.557  0.00  0.00    +0.149 A 
ATOM      9  C   LIG    1       -5.340  -0.907  -0.360  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.853   0.051  -1.249  0.00  0.00    +0.004 A 
ATOM     11  F   LIG    1       -4.949  -2.436   1.411  0.00  0.00    -0.203 F 
ATOM     12  N   LIG    1       -2.095  -1.556   1.325  0.00  0.00    -0.273 N 
ATOM     13  H   LIG    1       -2.114  -2.251   2.065  0.00  0.00    +0.189 HD
ATOM     14  C   LIG    1       -3.499   0.420  -1.235  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -0.927  -0.953   1.032  0.00  0.00    -0.168 NA
ENDBRANCH   3   5
BRANCH   1  22
ATOM     16  O   LIG    1        5.311  -1.119   1.005  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.465  -0.390   0.495  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        4.027  -0.606  -0.786  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.422  -1.417  -1.245  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        2.902  -0.087  -1.382  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1        2.420  -0.639  -2.369  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        2.225   1.088  -0.664  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1        3.177   1.749   0.328  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        3.796   0.723   1.263  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 2