REMARK  Name = LIG000747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872   1.201   0.410  0.00  0.00    +0.194 C 
ATOM      2  N   LIG    1       -1.260  -0.027   1.119  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1       -0.920   0.007   2.463  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -1.121  -0.849   3.301  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.298   1.309   2.715  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        0.191   1.819   3.903  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        0.721   3.110   3.875  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.746   3.849   2.678  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.242   3.310   1.488  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.279   2.027   1.520  0.00  0.00    -0.006 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.985  -1.155   0.534  0.00  0.00    +0.164 C 
ATOM     12  C   LIG    1       -1.024  -2.271   0.096  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.164  -2.313   0.411  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -1.573  -3.253  -0.695  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -0.932  -3.979  -0.989  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.709  -3.144  -1.454  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -2.950  -3.945  -2.352  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.649  -2.014  -1.105  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -2.885  -0.782  -0.640  0.00  0.00    +0.041 C 
ENDBRANCH   2  11
BRANCH   1  22
ATOM     20  N   LIG    1        1.129   0.110  -0.560  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        0.970  -0.587   0.170  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        0.129   1.040  -0.754  0.00  0.00    +0.239 C 
ATOM     23  O   LIG    1        0.076   1.788  -1.730  0.00  0.00    -0.273 OA
BRANCH  20  25
ATOM     24  C   LIG    1        1.607  -0.796  -2.808  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        2.197  -0.194  -1.525  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1        3.023   1.060  -1.858  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        3.145  -1.226  -0.886  0.00  0.00    +0.031 C 
ENDBRANCH  20  25
ENDBRANCH   1  22
TORSDOF 3