REMARK  Name = LIG001696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.625  -0.179  -0.273  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -3.964   0.792  -1.014  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.438   1.714  -1.647  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.528   0.520  -0.885  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.455   1.169  -1.483  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.163   0.720  -1.182  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.003  -0.359  -0.308  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.246  -0.992   0.244  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        1.794  -0.161   1.433  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        3.247   0.287   1.254  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1        3.472   0.875  -0.141  0.00  0.00    -0.007 C 
ATOM     12  C   LIG    1        3.213  -0.173  -1.236  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        2.323  -1.339  -0.794  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1        0.575  -2.299   0.752  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1       -0.800  -2.019   1.101  0.00  0.00    -0.490 OA
ATOM     16  C   LIG    1       -1.112  -0.986   0.264  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -2.377  -0.549  -0.008  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.697  -1.008   0.489  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1       -9.818   1.488   0.507  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.688   1.046   0.313  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1       -7.636   1.425   1.107  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1       -7.844   2.104   1.826  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1       -6.353   0.927   1.107  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -5.558   1.263   1.984  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1       -6.047  -0.143   0.047  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1       -6.947   0.040  -1.175  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -8.403   0.001  -0.739  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
BRANCH  11  28
ATOM     28  C   LIG    1        4.826   1.602  -0.298  0.00  0.00    +0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.071   0.778  -0.067  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1        6.753   0.195  -1.144  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        7.905  -0.564  -0.930  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.393  -0.743   0.362  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.732  -0.159   1.440  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.580   0.600   1.227  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 3