REMARK  Name = LIG001172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551  -0.593   0.773  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -1.539   0.210   0.175  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -2.868  -0.156   0.298  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.074   0.478  -0.229  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -5.134  -0.271   0.206  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -4.714  -1.370   0.906  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -5.377  -2.266   1.393  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -4.073   1.471  -0.930  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.258  -1.284   0.986  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -2.340  -2.108   1.592  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.987  -1.749   1.480  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -6.517  -0.080  -0.203  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -6.686  -0.550  -1.651  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.937  -1.353  -2.204  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.794  -0.064  -2.309  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.916  -0.382  -3.261  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.670   0.903  -1.884  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -9.585   1.290  -2.604  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.485   1.411  -0.472  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -7.024   1.351  -0.050  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  25
ATOM     21  C   LIG    1        4.937   0.794   0.172  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1        3.631   0.407   0.392  0.00  0.00    -0.264 N 
ATOM     23  C   LIG    1        3.137  -0.941   0.117  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1        1.848  -1.284   0.886  0.00  0.00    +0.124 C 
ATOM     25  N   LIG    1        0.795  -0.271   0.679  0.00  0.00    -0.327 N 
ATOM     26  C   LIG    1        1.234   1.101   0.355  0.00  0.00    +0.124 C 
ATOM     27  C   LIG    1        2.656   1.383   0.870  0.00  0.00    +0.130 C 
ATOM     28  O   LIG    1        5.357   1.918   0.410  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1        5.683  -0.217  -0.341  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1        7.902   0.298   0.600  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.086  -0.026  -0.656  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        7.274   1.030  -1.752  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        7.549  -1.385  -1.203  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   1  25
TORSDOF 4