REMARK  Name = LIG001281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.037   1.714   0.760  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.076   0.784   0.404  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.383   0.828   0.524  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -0.857  -0.359   0.036  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        0.155  -1.125  -0.475  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        0.088  -2.199  -1.043  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.009   1.787   0.938  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.401  -0.409  -0.217  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        2.705  -0.772  -0.500  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        3.706   0.118  -0.110  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        3.368   1.339   0.526  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.262  -0.673  -0.175  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -2.785   0.130  -1.371  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.064   0.601  -2.248  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.154   0.253  -1.452  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.503   0.776  -2.244  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.086  -0.084  -0.501  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.275   0.173  -0.662  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.578  -0.834   0.709  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.148  -0.436   1.045  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        1.743   2.851   1.512  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1        0.765   3.147   1.444  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        2.390   3.627   1.407  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
BRANCH  10  24
ATOM     24  O   LIG    1        5.055  -0.077  -0.282  0.00  0.00    -0.322 OA
BRANCH  24  25
ATOM     25  S   LIG    1        5.675  -1.456  -0.889  0.00  0.00    +0.292 S 
ATOM     26  F   LIG    1        7.254  -1.253  -0.845  0.00  0.00    -0.027 F 
ATOM     27  O   LIG    1        5.344  -1.546  -2.296  0.00  0.00    -0.103 OA
ATOM     28  O   LIG    1        5.407  -2.543   0.031  0.00  0.00    -0.103 OA
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 4