REMARK  Name = LIG000040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.164  -0.762   0.248  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.122   0.173  -0.165  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.441  -0.011   0.223  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.646   0.811  -0.093  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.694   0.142   0.668  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.244  -1.031   1.256  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.890  -1.860   1.867  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.801  -1.102   1.008  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.887  -2.044   1.431  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.556  -1.865   1.043  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.115   0.420   0.493  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.631  -0.035  -0.883  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.007  -0.757  -1.657  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.881   0.430  -1.224  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.208   0.139  -2.136  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.482   1.561  -0.733  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.413   2.093  -1.329  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.953   2.092   0.579  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.449   1.896   0.685  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.816   0.278  -0.872  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.205  -0.673  -0.083  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.792  -1.421   0.265  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.280   1.193  -1.484  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        7.765  -0.600   0.616  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        6.400  -0.432   0.868  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        5.495  -0.320  -0.197  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        4.063  -0.183   0.051  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1        3.284   0.078  -1.007  0.00  0.00    +0.052 C 
ATOM     29  C   LIG    1        3.839   0.271  -2.386  0.00  0.00    +0.269 C 
ATOM     30  O   LIG    1        5.142  -0.300  -2.606  0.00  0.00    -0.487 OA
ATOM     31  C   LIG    1        5.963  -0.373  -1.514  0.00  0.00    +0.128 A 
ATOM     32  C   LIG    1        7.319  -0.558  -1.769  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1        8.216  -0.665  -0.706  0.00  0.00    +0.049 A 
BRANCH  24  35
ATOM     34  C   LIG    1        8.355  -0.620   2.921  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        8.748  -0.720   1.558  0.00  0.00    -0.495 OA
ENDBRANCH  24  35
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 4