REMARK  Name = LIG000797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143  -0.323  -0.186  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.141   0.256   0.608  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.467  -0.017   0.311  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.708   0.479   0.972  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.758  -0.239   0.260  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.258  -0.947  -0.823  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.871  -1.536  -1.691  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.796  -0.848  -0.755  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.842  -1.430  -1.563  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.502  -1.161  -1.268  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.165   0.098   0.444  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.604   1.207  -0.524  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.852   2.092  -0.930  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.945   1.241  -0.834  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.237   1.991  -1.444  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.946   0.444  -0.338  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.123   0.670  -0.600  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.530  -0.656   0.611  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.102  -1.105   0.343  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.845   0.639   1.006  0.00  0.00    +0.267 C 
ATOM     21  N   LIG    1        1.230  -0.117   0.025  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.883  -0.571  -0.611  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.301   1.278   1.899  0.00  0.00    -0.268 OA
BRANCH  20  29
ATOM     24  C   LIG    1        7.999  -0.310  -0.589  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        7.458   0.449   0.447  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        6.062   0.524   0.624  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.192  -0.169  -0.248  0.00  0.00    +0.072 A 
ATOM     28  N   LIG    1        3.855  -0.129  -0.120  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        3.342   0.620   0.899  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        4.114   1.333   1.802  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1        5.753  -0.918  -1.270  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        5.495   1.281   1.658  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1        7.138  -0.992  -1.445  0.00  0.00    +0.048 A 
BRANCH  24  35
ATOM     34  C   LIG    1       10.251   0.212  -0.026  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        9.327  -0.466  -0.868  0.00  0.00    -0.495 OA
ENDBRANCH  24  35
ENDBRANCH  20  29
ENDBRANCH   1  21
TORSDOF 4