REMARK  Name = LIG000658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.989  -0.231   0.959  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.040   0.076   0.061  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        1.342  -0.028   0.517  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.611   0.209  -0.172  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        3.603  -0.002   0.748  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        3.094  -0.423   1.946  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        3.685  -0.743   2.959  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        2.711   0.512  -1.345  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.640  -0.418   1.808  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.655  -0.729   2.720  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.671  -0.630   2.282  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        5.027  -0.016   0.449  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.370  -1.298  -0.317  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        4.700  -2.327  -0.263  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.545  -1.267  -1.035  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        6.784  -2.117  -1.527  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.378  -0.196  -1.246  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.387  -0.305  -1.936  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        7.023   1.089  -0.534  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.521   1.207  -0.320  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  C   LIG    1       -2.913   0.140  -0.600  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1       -2.360  -0.162   0.632  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -3.004  -0.431   1.365  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -2.305   0.349  -1.642  0.00  0.00    -0.270 OA
BRANCH  21  29
ATOM     25  C   LIG    1       -8.705   0.225  -0.844  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -7.207   0.182  -0.758  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -6.548   0.672   0.376  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.152   0.665   0.444  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -4.402   0.167  -0.629  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -5.056  -0.291  -1.778  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -6.451  -0.284  -1.841  0.00  0.00    +0.004 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 3