REMARK  Name = LIG001949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.839   0.527  -1.189  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.319   1.719  -1.676  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.731   2.401  -2.595  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.134   2.027  -0.870  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.006   1.042   0.106  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.040   1.090   1.011  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.960   2.152   0.925  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.810   3.137  -0.080  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.250   3.082  -0.989  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.112   0.051  -0.019  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.104  -2.964   0.518  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.568  -2.126  -0.200  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.015  -0.833  -0.228  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.716  -0.647   0.478  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.200   0.236  -0.500  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.312   1.276   0.146  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.147   0.022  -1.601  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.106  -1.421  -2.106  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.320  -2.430  -0.992  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        2.126   2.212   1.882  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.228   1.408   1.400  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.675   1.716   0.549  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.388   0.099   1.800  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        2.672  -0.450   2.631  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.477  -0.668   1.133  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.349  -2.063   1.044  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.347  -2.822   0.428  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.470  -2.185  -0.087  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        7.428  -2.912  -0.676  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.620  -0.806   0.007  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.624  -0.042   0.622  0.00  0.00    +0.016 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4