REMARK  Name = LIG000646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.638   1.290  -0.255  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.881   0.227  -1.141  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.152  -0.314  -1.154  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.709  -1.404  -1.952  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -4.010  -1.559  -1.554  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -4.360  -0.628  -0.614  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -5.440  -0.434  -0.091  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -2.086  -2.032  -2.787  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.160   0.157  -0.334  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.956   1.198   0.548  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.676   1.764   0.586  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.936  -2.458  -2.225  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -5.782  -1.661  -3.224  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.439  -0.583  -3.704  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.955  -2.262  -3.624  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.510  -1.744  -4.293  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.532  -3.402  -3.121  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.623  -3.792  -3.528  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.730  -4.173  -2.099  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.841  -3.247  -1.282  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  C   LIG    1        0.736   1.916  -0.182  0.00  0.00    +0.044 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.639   1.171   0.798  0.00  0.00    +0.101 C 
BRANCH  22  25
ATOM     23  N   LIG    1        3.837   1.106   1.764  0.00  0.00    -0.285 N 
ATOM     24  H   LIG    1        3.435   0.290   2.208  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        3.016   1.805   0.893  0.00  0.00    +0.218 C 
ATOM     26  O   LIG    1        3.312   2.811   0.260  0.00  0.00    -0.275 OA
BRANCH  23  32
ATOM     27  C   LIG    1        9.277   2.040   3.341  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        7.855   1.832   2.902  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        7.224   2.693   1.992  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        8.056   4.052   1.321  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.897   2.477   1.598  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        5.175   1.398   2.106  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1        5.800   0.536   3.014  0.00  0.00    +0.023 A 
ATOM     34  C   LIG    1        7.125   0.750   3.408  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5