REMARK  Name = LIG000593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.730   0.459   0.435  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -4.154   0.343   1.693  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.714   0.267   2.769  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.700   0.328   1.495  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.686   0.273   2.445  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.363   0.254   1.992  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.116   0.301   0.616  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.182   0.216  -0.134  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        1.657  -1.253  -0.237  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1        2.757  -1.550   0.781  0.00  0.00    +0.086 C 
ATOM     11  N   LIG    1        3.949  -0.705   0.616  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1        3.668   0.608   0.013  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1        2.290   1.133   0.412  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        0.648   0.710  -1.504  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1       -0.758   0.380  -1.607  0.00  0.00    -0.490 OA
ATOM     16  C   LIG    1       -1.162   0.360  -0.303  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -2.460   0.364   0.124  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.736   0.387  -0.633  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1       -9.506  -0.793  -1.946  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.559  -0.466  -1.237  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1       -7.755  -1.409  -0.650  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1       -7.955  -2.363  -0.919  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1       -6.480  -1.200  -0.172  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -5.692  -2.138  -0.084  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1       -6.156   0.252   0.219  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1       -6.728   1.191  -0.840  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -8.230   0.980  -0.944  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
BRANCH  11  28
ATOM     28  C   LIG    1        5.028  -1.415  -0.092  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.356  -0.686  -0.066  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1        6.990  -0.310  -1.259  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        8.218   0.352  -1.230  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.826   0.643  -0.010  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.208   0.273   1.182  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.980  -0.390   1.155  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 3