REMARK  Name = LIG000618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.199  -0.568  -0.978  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1       -0.635  -0.088   0.021  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1       -0.257   0.212   0.913  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1       -0.154  -1.050  -2.047  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.006  -2.907  -1.278  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1        2.489  -1.570  -0.793  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        1.640  -0.474  -0.659  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        2.175   0.740  -0.218  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.537   0.828   0.094  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.325  -0.332  -0.053  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        5.676  -0.251   0.259  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.257   0.940   0.704  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.477   2.082   0.842  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.119   2.029   0.538  0.00  0.00    +0.010 A 
ATOM     15  N   LIG    1        3.813  -1.499  -0.482  0.00  0.00    -0.251 NA
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1       -1.985  -0.131  -0.152  0.00  0.00    -0.187 NA
ATOM     17  C   LIG    1       -2.696   0.279   0.848  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.171   0.285   0.794  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -4.884   0.741   1.905  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -6.278   0.750   1.863  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1       -7.166   1.311   3.226  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -6.960   0.310   0.728  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -6.242  -0.145  -0.380  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.847  -0.159  -0.348  0.00  0.00    +0.009 A 
ENDBRANCH  17  18
ENDBRANCH   2  16
TORSDOF 3