REMARK  Name = LIG000234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.830  -1.094  -0.297  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.781  -2.278  -1.019  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.699  -2.868  -1.554  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.380  -2.714  -1.024  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.622  -1.746  -0.368  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1        0.745  -1.911  -0.235  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.331  -3.066  -0.772  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.549  -4.033  -1.434  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.829  -3.860  -1.567  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.500  -0.625   0.076  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.057   3.332  -0.042  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.516   2.234  -0.129  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.874   1.850  -1.278  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.812   2.567  -1.990  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.939   0.845  -1.389  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.126   0.855  -2.310  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.010  -0.239  -0.299  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.248   0.429   1.052  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.541   1.229   0.999  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.543  -0.930   0.428  0.00  0.00    -0.063 C 
ATOM     21  C   LIG    1        2.193  -0.086   0.982  0.00  0.00    -0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.970   0.963   1.654  0.00  0.00    +0.220 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.323   1.195   1.011  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1        4.426   1.603  -0.331  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.675   1.826  -0.913  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.835   1.648  -0.163  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.749   1.246   1.169  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.501   1.022   1.754  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  O   LIG    1        2.213   2.172   1.654  0.00  0.00    -0.375 OA
ATOM     30  H   LIG    1        2.840   2.900   1.513  0.00  0.00    +0.211 HD
ENDBRANCH  22  29
ENDBRANCH  21  22
ENDBRANCH   6  20
TORSDOF 5