REMARK  Name = LIG001114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.330  -0.102   0.618  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.711  -0.172   0.437  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1        2.765   0.858   0.683  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        4.003   0.154   0.385  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        3.762  -1.090  -0.166  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        4.556  -1.861  -0.664  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        2.316  -1.321  -0.082  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.608  -2.444  -0.455  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.229  -2.398  -0.290  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.394  -1.244   0.233  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.280   0.861   0.351  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.607   1.298  -1.076  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.880   2.067  -1.706  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.730   0.767  -1.655  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.925   1.069  -2.599  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.576  -0.189  -1.160  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.544  -0.565  -1.818  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.255  -0.768   0.194  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.442   0.173   1.065  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  N   LIG    1       -0.257   1.086   1.092  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        0.387   1.699   1.569  0.00  0.00    +0.154 HD
BRANCH  20  27
ATOM     22  C   LIG    1       -3.887   1.283   0.568  0.00  0.00    +0.284 C 
ATOM     23  N   LIG    1       -4.157   2.208   1.644  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -5.096   2.584   1.591  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -3.166   3.032   2.083  0.00  0.00    +0.074 C 
ATOM     26  C   LIG    1       -1.884   2.752   1.853  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1       -1.591   1.471   1.119  0.00  0.00    +0.123 C 
ATOM     28  N   LIG    1       -2.516   0.783   0.531  0.00  0.00    -0.229 NA
BRANCH  22  30
ATOM     29  C   LIG    1       -4.713  -0.709   1.743  0.00  0.00    +0.133 C 
ATOM     30  N   LIG    1       -4.919   0.258   0.660  0.00  0.00    -0.296 N 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.331  -0.376  -0.527  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1       -4.528  -0.493  -1.671  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -4.993  -1.138  -2.824  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -6.276  -1.677  -2.856  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.092  -1.574  -1.736  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1       -6.622  -0.931  -0.587  0.00  0.00    +0.023 A 
ENDBRANCH  30  31
ENDBRANCH  22  30
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5