REMARK  Name = LIG000749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.403   0.503  -3.146  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -1.577   1.108  -2.659  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.371   1.913  -3.489  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.998   2.128  -4.812  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.836   1.542  -5.308  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.045   0.738  -4.484  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.991   0.937  -1.245  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -3.260   0.428  -1.064  0.00  0.00    -0.300 N 
ATOM      9  H   LIG    1       -3.680  -0.007  -1.878  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1       -1.217   1.215  -0.335  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.632  -0.119   0.233  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.330  -1.626   0.273  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.673  -2.217  -0.582  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.877  -2.303   1.337  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.674  -3.295   1.365  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.012  -1.934   2.010  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.632  -2.739   2.698  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.443  -0.489   1.883  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.116   0.073   0.509  0.00  0.00    +0.041 C 
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  20
ATOM     20  C   LIG    1        0.458  -0.404  -2.300  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        2.641   0.498   0.436  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        2.353   1.464   0.362  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        2.150  -0.321  -0.555  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        1.163   0.325  -1.271  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        0.546   0.883  -0.684  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        2.528  -1.453  -0.825  0.00  0.00    -0.252 OA
BRANCH  21  32
ATOM     27  C   LIG    1        6.704  -0.584   4.341  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        5.621  -0.295   3.340  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        5.137   1.001   3.113  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        5.759   2.361   3.988  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.140   1.238   2.160  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        3.622   0.187   1.397  0.00  0.00    +0.036 A 
ATOM     33  C   LIG    1        4.096  -1.106   1.622  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        5.085  -1.345   2.583  0.00  0.00    +0.006 A 
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5