REMARK  Name = LIG001417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304  -2.470  -1.426  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.491  -1.770  -1.240  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -2.763  -0.558  -0.408  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -4.194  -0.354  -0.589  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -4.740  -1.256  -1.490  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -5.882  -1.309  -1.903  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.665  -2.178  -1.873  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.727  -3.277  -2.708  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.550  -3.995  -2.903  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.355  -3.598  -2.269  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.906   0.850  -0.163  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.345   2.102  -0.861  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.032   2.142  -2.049  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.167   3.203  -0.064  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.837   4.020  -0.563  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.638   3.116   1.195  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -2.975   4.037   1.665  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.798   1.797   1.909  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.971   1.004   1.358  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  23
ATOM     20  C   LIG    1        2.347  -1.282   0.477  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.807  -0.506  -0.554  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        0.619  -0.900  -1.179  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -0.053  -2.067  -0.780  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        0.493  -2.832   0.261  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.679  -2.441   0.889  0.00  0.00    +0.013 A 
BRANCH  20  28
ATOM     26  N   LIG    1        4.511  -0.161   0.445  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1        4.419  -0.172  -0.562  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        3.603  -0.899   1.179  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        3.797  -1.263   2.333  0.00  0.00    -0.270 OA
BRANCH  26  30
ATOM     30  C   LIG    1        5.818   0.146   0.990  0.00  0.00    +0.104 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.500   1.287   0.239  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        5.598   3.181   1.696  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        5.751   2.622   0.289  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 6