REMARK  Name = LIG000876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.887  -0.036   0.276  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.755   0.241  -1.073  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.447  -0.141  -1.995  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.558   1.076  -1.221  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.969   1.213   0.033  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.809   1.951   0.182  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.245   2.560  -0.956  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.859   2.397  -2.221  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        2.030   1.649  -2.361  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.755   0.456   1.049  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.413  -3.133  -1.607  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.681  -2.460  -0.885  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.536  -3.000  -0.360  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.321  -3.937  -0.668  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.574  -2.386   0.400  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.514  -2.959   0.653  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.856  -0.956   0.861  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.321  -0.549   0.720  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.982  -1.018  -0.563  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.038   3.344  -0.828  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.178   2.456  -0.849  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -2.428   2.039  -1.737  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.768   2.000   0.309  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1       -2.432   2.383   1.425  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.862   0.977   0.078  0.00  0.00    +0.117 C 
ATOM     26  C   LIG    1       -4.694   0.739   1.335  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -5.583  -0.459   1.150  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -5.319  -1.399   0.147  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.157  -2.501  -0.025  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.248  -2.690   0.823  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.504  -1.773   1.841  0.00  0.00    +0.000 A 
ATOM     32  O   LIG    1       -4.276  -1.292  -0.736  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -6.675  -0.662   2.006  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -3.262  -0.359  -0.343  0.00  0.00    +0.242 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4