REMARK  Name = LIG001287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.243   0.338  -0.461  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.563   1.033  -1.615  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.551   1.708  -1.834  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.466   0.808  -2.563  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.553  -0.072  -1.980  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.578  -0.480  -2.680  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.764   0.053  -3.970  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.166   0.944  -4.540  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.304   1.328  -3.832  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.023  -0.446  -0.610  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.880  -1.870   3.816  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.424  -1.235   2.869  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.629  -1.646   1.577  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.096  -2.538   1.480  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.931  -1.231   0.465  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.921  -1.921  -0.552  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.206   0.118   0.610  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.567   0.195   1.993  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.644   0.045   3.056  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.579  -1.433  -2.089  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.530  -0.730  -1.257  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.064   0.007  -1.696  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.526  -0.848   0.115  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.739  -1.557   0.731  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.518  -0.018   0.855  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.215   0.360   2.172  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.115   1.137   2.904  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        5.316   1.524   2.321  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        6.181   2.268   3.023  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.638   1.145   1.022  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        4.740   0.367   0.285  0.00  0.00    +0.016 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4