REMARK  Name = LIG000889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.793  -0.809  -0.367  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        4.694  -1.919   0.456  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.571  -2.706   0.757  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.316  -1.958   0.954  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.717  -2.884   1.784  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        1.377  -2.675   2.115  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.673  -1.553   1.617  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -0.776  -1.366   1.985  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1       -1.476  -0.319   1.091  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1       -2.774   0.152   1.793  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1       -3.831   0.596   0.781  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -4.275  -0.521  -0.068  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1       -3.217  -1.499  -0.355  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -1.809  -0.906  -0.309  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -0.493   0.858   0.943  0.00  0.00    +0.236 C 
ATOM     16  O   LIG    1        0.723   0.491   0.283  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1        1.327  -0.617   0.801  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        2.647  -0.841   0.461  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.558  -0.031  -0.399  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        8.856   2.461  -2.133  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        8.059   1.605  -1.761  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        7.057   1.165  -2.588  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        6.995   1.631  -3.483  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        5.979   0.377  -2.254  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        5.046   0.249  -3.044  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        6.068  -0.335  -0.894  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        6.768   0.576   0.116  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        8.145   0.956  -0.402  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
BRANCH  12  29
ATOM     29  C   LIG    1       -4.922  -0.043  -1.303  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.175   0.772  -1.057  0.00  0.00    -0.033 A 
ATOM     31  C   LIG    1       -6.271   2.094  -1.514  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -7.433   2.836  -1.294  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.510   2.266  -0.617  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.427   0.952  -0.160  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.267   0.208  -0.379  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  12  29
TORSDOF 3