REMARK  Name = LIG000716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.457  -0.002  -0.570  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.800  -0.152  -0.173  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.290   0.687   0.810  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.562   0.753   1.397  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.578   1.808   2.339  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.280   2.360   2.331  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.842   3.473   3.120  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.527   2.166   3.017  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.499   1.678   1.390  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.192   1.874   1.010  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.319   1.028   0.016  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.037  -0.830  -1.601  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -0.603  -1.573  -1.861  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        3.639  -1.233  -1.343  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1        2.374  -0.882  -1.050  0.00  0.00    -0.198 NA
ATOM     16  C   LIG    1        1.373  -1.218  -1.891  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        1.632  -1.914  -3.062  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        0.407  -2.389  -4.171  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        2.946  -2.234  -3.294  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        3.952  -1.909  -2.459  0.00  0.00    -0.221 NA
BRANCH  14  24
ATOM     21  C   LIG    1        7.560   0.488  -1.042  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        7.052  -0.550  -0.037  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1        5.965  -1.450  -0.662  0.00  0.00    +0.111 C 
ATOM     24  N   LIG    1        4.650  -0.855  -0.469  0.00  0.00    -0.299 N 
ATOM     25  C   LIG    1        4.212  -0.592   0.902  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1        5.394  -0.563   1.875  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        6.588   0.147   1.255  0.00  0.00    +0.006 C 
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -4.710  -0.041   1.034  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.433   0.524  -0.192  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.725  -0.220  -0.583  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -6.522  -1.727  -0.754  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -7.274   0.374  -1.885  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -7.731  -0.008   0.409  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -7.455  -0.419   1.245  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7