REMARK  Name = LIG000782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.796  -0.644  -0.967  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.235  -0.086  -0.228  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.039   0.527   0.556  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1       -0.693  -1.484  -1.852  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.654   2.216  -1.232  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -2.538   1.146  -0.660  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -2.140  -0.185  -0.572  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -3.049  -1.135  -0.107  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -4.323  -0.729   0.303  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.638   0.644   0.223  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -5.898   1.051   0.639  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.843   0.141   1.123  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.528  -1.211   1.196  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.270  -1.648   0.787  0.00  0.00    +0.010 A 
ATOM     15  N   LIG    1       -3.764   1.558  -0.242  0.00  0.00    -0.251 NA
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        1.522  -0.442  -0.495  0.00  0.00    -0.187 NA
ATOM     17  C   LIG    1        2.424   0.087   0.266  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.858  -0.216   0.084  0.00  0.00    -0.003 A 
ATOM     19  C   LIG    1        4.789   0.385   0.933  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        6.151   0.098   0.761  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        6.580  -0.778  -0.246  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.638  -1.372  -1.088  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.279  -1.092  -0.924  0.00  0.00    +0.009 A 
BRANCH  20  24
ATOM     24  N   LIG    1        7.139   0.724   1.648  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        8.333   0.448   1.469  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        6.717   1.492   2.524  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   2  16
TORSDOF 4