REMARK  Name = LIG001112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.742   0.169   0.106  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -0.600  -0.522  -0.342  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.660  -0.018  -0.060  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.005  -0.558  -0.412  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        2.904   0.466   0.107  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.224   1.436   0.831  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        2.693   2.360   1.468  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.794   1.149   0.684  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.291   1.839   1.179  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.564   1.329   0.893  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.346   0.290   0.219  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.728  -0.780   1.256  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.946  -1.282   2.060  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.046  -1.176   1.232  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.283  -1.892   1.906  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.879  -1.117   0.144  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.883  -1.820   0.076  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.504  -0.136  -0.941  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        4.995  -0.062  -1.117  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1       -2.994  -0.408  -0.140  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -2.992  -0.957  -0.997  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.207   0.385   0.029  0.00  0.00    +0.101 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.421  -0.448  -0.391  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.929  -0.489  -0.631  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -6.721   0.335  -0.214  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5