REMARK  Name = LIG000588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.673   0.385  -0.023  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.602   0.332   0.830  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.594   0.424   2.042  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.413   0.139   0.001  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.837   0.040  -1.310  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.049  -0.168  -2.346  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.406  -0.267  -2.014  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.852  -0.157  -0.673  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        0.921   0.044   0.354  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.291   0.173  -1.319  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.977   0.082  -2.319  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.118  -0.257   0.249  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.912  -0.038   0.303  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.011  -1.065   0.445  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.402  -1.997   0.435  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.636  -0.990   0.418  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.957  -2.015   0.425  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.049   0.425   0.446  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.949   1.382  -0.331  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.343   1.362   0.278  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        3.242  -0.278  -0.456  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.801  -0.439  -1.285  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.917  -0.089   0.738  0.00  0.00    +0.250 C 
ATOM     24  O   LIG    1        3.435   0.306   1.792  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.375  -0.347   0.692  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.923  -1.366  -0.076  0.00  0.00    +0.123 A 
ATOM     27  N   LIG    1        7.251  -1.623  -0.153  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        8.065  -0.846   0.597  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.612   0.176   1.418  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.243   0.426   1.467  0.00  0.00    +0.016 A 
ENDBRANCH  23  25
ENDBRANCH   8  21
TORSDOF 3