REMARK  Name = LIG000666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.570   0.689   0.074  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        4.829  -0.669   0.036  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.866  -1.247   0.291  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.601  -1.324  -0.424  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.664  -0.335  -0.715  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.405  -0.669  -1.184  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.111  -2.030  -1.335  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.071  -3.021  -1.038  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.340  -2.671  -0.579  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.254   1.010  -0.464  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.531   0.700   0.998  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.347   0.991   0.842  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.898   1.449  -0.368  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.585   1.456  -1.109  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.616   1.766  -0.740  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.348   2.017  -1.915  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.547   1.735   0.353  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.124   1.737   1.766  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.335   0.840   1.949  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  O   LIG    1        0.566   0.376  -1.431  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.638   0.122  -2.162  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.790  -0.318  -1.286  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -2.784  -1.156  -1.808  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.870  -1.550  -1.021  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.998  -1.102   0.300  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -3.004  -0.261   0.819  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -1.919   0.135   0.033  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.174  -1.526   1.157  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.370  -0.681   1.111  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -7.073  -0.641  -0.179  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -6.997   0.732  -0.865  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -7.538   1.792  -0.064  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -7.395   1.563   1.346  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -6.198   0.660   1.688  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6