REMARK  Name = LIG000450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.906   0.206  -0.290  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.430  -0.835  -1.074  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.061  -1.678  -1.680  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.966  -0.760  -1.033  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.608   0.264  -0.163  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.273   0.555   0.071  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.706  -0.201  -0.590  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.316  -1.243  -1.464  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.033  -1.532  -1.693  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.830   0.889   0.418  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.216  -0.763   0.810  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.053  -0.471   0.549  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.013  -0.993   1.276  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.266  -1.647   2.004  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.677  -0.673   1.194  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.880  -1.125   2.015  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.298   0.358   0.119  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.288   0.310  -1.044  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.696   0.539  -0.516  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.093   0.004  -0.424  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        2.690  -0.620  -0.951  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.708   1.015   0.292  0.00  0.00    +0.250 C 
ATOM     23  O   LIG    1        2.159   1.961   0.845  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.188   0.942   0.344  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        4.893  -0.261   0.373  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        6.296  -0.243   0.422  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.947   1.011   0.446  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1        8.335   1.030   0.491  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        9.085  -0.150   0.515  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        8.440  -1.381   0.496  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1        6.270   2.172   0.433  0.00  0.00    -0.254 NA
ATOM     32  C   LIG    1        7.048  -1.430   0.450  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1        4.915   2.120   0.395  0.00  0.00    +0.124 A 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3