REMARK  Name = LIG001942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.337   0.233  -2.208  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1       -1.504  -0.275  -1.648  0.00  0.00    -0.015 A 
ATOM      3  C   LIG    1       -2.576   0.413  -0.865  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -3.525  -0.659  -0.599  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -3.066  -1.886  -1.050  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.579  -2.978  -0.897  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.807  -1.634  -1.759  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -0.995  -2.535  -2.420  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.172  -2.037  -2.996  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.498  -0.672  -2.889  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.620  -0.546   0.356  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.122  -0.392   1.804  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.952  -0.524   2.157  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.092  -0.059   2.722  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.750   0.060   3.667  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.227   0.657   2.443  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.808   1.290   3.319  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.721   0.610   1.015  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.559   0.613   0.033  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.065   1.679  -2.055  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1        0.849   1.921  -0.764  0.00  0.00    +0.101 C 
BRANCH  21  24
ATOM     22  N   LIG    1        2.782   1.014   0.362  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        2.136   1.017   1.142  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        2.291   1.443  -0.859  0.00  0.00    +0.218 C 
ATOM     25  O   LIG    1        2.914   1.503  -1.914  0.00  0.00    -0.275 OA
BRANCH  22  31
ATOM     26  C   LIG    1        7.988  -0.988   1.735  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        6.625  -0.465   1.380  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1        5.595  -0.367   2.323  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1        5.829  -0.845   3.968  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        4.335   0.124   1.960  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        4.077   0.529   0.646  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1        5.101   0.435  -0.296  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        6.361  -0.057   0.066  0.00  0.00    +0.006 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5