REMARK  Name = LIG000529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.794   1.373  -0.827  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.677   2.366  -1.932  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1        0.163   2.271  -2.820  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -1.537   3.434  -1.895  0.00  0.00    -0.318 N 
ATOM      5  H   LIG    1       -1.442   4.095  -2.663  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.467   3.660  -0.899  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -2.551   2.770   0.105  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.715   1.574   0.139  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        1.229   0.359  -0.076  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.313   1.229   0.435  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.104   0.194  -0.860  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -0.213  -0.785  -1.524  0.00  0.00    -0.270 OA
BRANCH   9  15
ATOM     13  C   LIG    1        4.380  -1.059   1.239  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1        3.301  -0.197   0.995  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        2.282  -0.561   0.106  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        2.360  -1.797  -0.540  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.435  -2.660  -0.300  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        4.444  -2.294   0.589  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.436   0.445   2.791  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.424  -0.616   2.194  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.405  -1.521   2.356  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        7.010  -1.100   3.001  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1       -3.331   4.899  -0.990  0.00  0.00    +0.432 C 
ATOM     24  F   LIG    1       -4.196   5.021   0.047  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1       -2.571   6.024  -1.009  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1       -4.067   4.906  -2.130  0.00  0.00    -0.164 F 
ENDBRANCH   6  23
BRANCH   8  27
ATOM     27  S   LIG    1       -1.977   0.546   1.528  0.00  0.00    -0.086 S 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.388  -1.045   0.784  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -3.487  -1.230  -0.081  0.00  0.00    +0.056 A 
ATOM     30 CL   LIG    1       -4.604   0.035  -0.480  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -3.762  -2.485  -0.642  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1       -2.965  -3.584  -0.340  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -1.900  -3.436   0.542  0.00  0.00    +0.021 A 
ATOM     34  C   LIG    1       -1.619  -2.186   1.108  0.00  0.00    +0.056 A 
ATOM     35 CL   LIG    1       -0.296  -2.139   2.232  0.00  0.00    -0.082 Cl
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7