REMARK  Name = LIG000838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.465  -0.710   0.370  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.155  -0.689  -0.113  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.018   0.129   0.252  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        1.050  -0.265  -0.561  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        0.689  -1.314  -1.355  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        1.365  -1.935  -2.154  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.066   0.980   1.121  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.719  -1.579  -1.087  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -1.536  -2.540  -1.648  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.848  -2.593  -1.192  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.300  -1.695  -0.200  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.426   0.194  -0.444  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.064  -0.423   0.804  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.691  -1.478   1.316  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.168   0.236   1.298  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.602  -0.179   2.112  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.704   1.425   0.871  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.692   1.908   1.417  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.061   2.062  -0.340  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.583   1.713  -0.427  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1       -3.065   1.557   0.880  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1       -2.917   0.176   1.352  0.00  0.00    -0.335 N 
ATOM     23  C   LIG    1       -3.985  -0.270   2.245  0.00  0.00    +0.129 C 
ENDBRANCH   1  22
TORSDOF 2