REMARK  Name = LIG001827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.616  -0.067   0.989  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.944   0.584   2.010  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.416   1.139   2.983  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.516   0.525   1.682  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.379  -0.109   0.451  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.125  -0.286  -0.114  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.998   0.186   0.579  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.831   0.826   1.830  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.436   1.004   2.393  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.719  -0.509  -0.074  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.723   0.042  -1.072  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.656   0.031  -0.465  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.965  -1.139  -0.273  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.365  -1.958  -0.712  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.682  -1.286   0.202  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.115  -2.373   0.108  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.071  -0.045   0.871  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.538   1.213   0.138  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.056   1.276   0.140  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.320   0.061   0.103  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1        3.039   0.431   0.711  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.740  -0.494  -1.092  0.00  0.00    +0.220 C 
ATOM     23  O   LIG    1        2.013  -0.967  -1.962  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.257  -0.482  -1.292  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        4.813   0.946  -1.356  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.324   0.943  -1.577  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        7.046   0.106  -0.524  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        6.491  -1.314  -0.453  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        4.980  -1.317  -0.228  0.00  0.00    +0.013 C 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3