REMARK  Name = LIG001203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.711  -0.590  -0.426  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.345  -1.688  -1.192  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.999  -2.683  -1.437  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.983  -1.434  -1.673  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.548  -0.229  -1.127  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.283   0.252  -1.417  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.545  -0.499  -2.273  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.082  -1.727  -2.806  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.196  -2.204  -2.507  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.607   0.345  -0.247  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.207   0.492   3.655  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.583   0.114   2.668  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.586  -0.822   2.775  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.363  -1.095   3.723  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.579  -1.037   1.861  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.516  -1.538   2.219  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.898  -0.604   0.420  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.607   0.747   0.453  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.879   0.629   1.278  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.940  -0.015  -2.584  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.857  -0.387  -1.533  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        3.038  -1.375  -1.384  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.160   0.471  -0.483  0.00  0.00    +0.288 C 
ATOM     24  O   LIG    1        2.760   1.636  -0.449  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.044  -0.171   0.629  0.00  0.00    +0.348 C 
ATOM     26  F   LIG    1        4.178  -1.520   0.387  0.00  0.00    -0.190 F 
ATOM     27  F   LIG    1        3.397  -0.110   1.835  0.00  0.00    -0.190 F 
BRANCH  25  28
ATOM     28  C   LIG    1        5.401   0.515   0.689  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        5.559   1.715   1.402  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        6.799   2.356   1.448  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.889   1.802   0.781  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        9.417   2.591   0.837  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        7.750   0.613   0.068  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.510  -0.029   0.021  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 5