REMARK  Name = LIG000598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845  -0.339  -0.704  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1       -0.813  -1.651  -0.322  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1        0.459  -2.008  -0.197  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1        1.214  -0.931  -0.495  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1        0.438   0.141  -0.825  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.651  -0.996  -0.283  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1        3.433  -0.253  -1.351  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1        3.049  -0.095  -2.507  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1        4.677   0.212  -0.979  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1        5.207   0.685  -1.699  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1        5.285   0.125   0.249  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1        6.414   0.568   0.429  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.515  -0.598   1.327  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1        3.016  -0.474   1.108  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1       -2.980   0.630   0.117  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1       -2.058   0.411  -0.917  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -2.348   0.892  -2.203  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -3.541   1.575  -2.452  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.457   1.783  -1.421  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.179   1.315  -0.137  0.00  0.00    +0.015 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.678   0.215   1.504  0.00  0.00    +0.340 C 
ATOM     22  O   LIG    1       -1.653   0.503   2.099  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -3.518  -1.010   3.298  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -3.724  -0.506   1.978  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  16
TORSDOF 4