REMARK  Name = LIG001033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.177  -0.340   0.406  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1       -0.486   0.181  -0.700  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.062   0.612  -1.439  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1       -0.328  -0.786   1.429  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        1.788  -2.794   0.834  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1        2.410  -1.473   0.484  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        1.651  -0.322   0.286  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        2.309   0.873  -0.018  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.704   0.888  -0.136  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.397  -0.323   0.064  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        5.781  -0.314  -0.055  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.484   0.855  -0.360  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.796   2.047  -0.552  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.407   2.067  -0.440  0.00  0.00    +0.010 A 
ATOM     15  N   LIG    1        3.765  -1.472   0.364  0.00  0.00    -0.251 NA
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1       -1.831   0.414  -0.810  0.00  0.00    -0.187 NA
ATOM     17  C   LIG    1       -2.655  -0.318  -0.124  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.113  -0.071  -0.169  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1       -4.678   0.953  -0.939  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -6.057   1.144  -0.951  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -6.881   0.313  -0.191  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.325  -0.708   0.581  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.942  -0.902   0.594  0.00  0.00    +0.013 A 
BRANCH  19  24
ATOM     24  O   LIG    1       -3.934   1.808  -1.706  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -2.993   1.556  -1.582  0.00  0.00    +0.292 HD
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH   2  16
TORSDOF 4