REMARK  Name = LIG000945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.007   0.250  -0.105  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.701  -0.940  -0.750  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.459  -1.809  -1.133  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.240  -0.987  -0.881  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.711   0.124  -0.232  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.340   0.323  -0.194  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.500  -0.611  -0.828  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.062  -1.729  -1.475  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.448  -1.927  -1.505  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.811   0.936   0.362  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.184  -0.057   1.759  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.049   0.070   1.306  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.960  -0.417   1.984  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.158  -0.906   2.846  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.629  -0.208   1.704  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.764  -0.550   2.510  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.326   0.583   0.422  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.457   0.415  -0.593  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.770   0.846   0.040  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        1.889  -0.367  -0.757  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        2.162   0.466  -0.251  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.900  -1.084  -1.371  0.00  0.00    +0.248 C 
ATOM     23  O   LIG    1        2.769  -2.017  -2.154  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.280  -0.615  -1.061  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        4.624  -0.128   0.207  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        5.930   0.294   0.454  0.00  0.00    +0.163 A 
ATOM     27  O   LIG    1        6.198   0.745   1.721  0.00  0.00    -0.485 OA
ATOM     28  C   LIG    1        7.609   0.806   1.964  0.00  0.00    +0.270 C 
ATOM     29  C   LIG    1        8.325   1.464   0.795  0.00  0.00    +0.270 C 
ATOM     30  O   LIG    1        8.182   0.678  -0.394  0.00  0.00    -0.485 OA
ATOM     31  C   LIG    1        6.891   0.249  -0.562  0.00  0.00    +0.162 A 
ATOM     32  C   LIG    1        6.561  -0.264  -1.814  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1        5.257  -0.700  -2.063  0.00  0.00    +0.017 A 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3