REMARK  Name = LIG000002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -0.259   0.723  0.00  0.00    +0.210 A 
ATOM      2  C   LIG    1       -1.643  -0.541   1.770  0.00  0.00    +0.288 A 
ATOM      3  O   LIG    1       -1.262  -0.798   2.905  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -2.951  -0.433   1.359  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -3.327   0.127   0.139  0.00  0.00    +0.353 A 
ATOM      6  O   LIG    1       -4.523   0.275  -0.121  0.00  0.00    -0.244 OA
ATOM      7  N   LIG    1       -2.265   0.506  -0.715  0.00  0.00    -0.181 N 
ATOM      8  N   LIG    1       -0.940   0.247  -0.429  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.753   0.918   0.118  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        3.104   0.308   1.363  0.00  0.00    +0.122 C 
ATOM     11  N   LIG    1        1.659   0.521   1.320  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.838  -0.546   0.961  0.00  0.00    +0.272 C 
ATOM     13  O   LIG    1        1.214  -1.700   0.793  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.253   1.923   1.280  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        1.841   2.592   0.039  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        3.361   2.398  -0.029  0.00  0.00    +0.018 C 
BRANCH   9  17
ATOM     17  C   LIG    1        5.256   0.782   0.200  0.00  0.00    +0.312 C 
ATOM     18  O   LIG    1        5.890   0.644   1.237  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        5.797   0.859  -1.048  0.00  0.00    -0.465 OA
BRANCH  19  21
ATOM     20  C   LIG    1        7.638  -0.708  -1.189  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        7.226   0.750  -1.120  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   9  17
ENDBRANCH   1  12
BRANCH   7  22
ATOM     22  C   LIG    1       -2.444   1.157  -1.994  0.00  0.00    +0.071 A 
ATOM     23  C   LIG    1       -3.675   1.667  -2.435  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -3.802   2.300  -3.680  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.700   2.442  -4.515  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.468   1.952  -4.105  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -1.343   1.321  -2.862  0.00  0.00    +0.028 A 
ENDBRANCH   7  22
BRANCH   4  28
ATOM     28  C   LIG    1       -3.990  -0.840   2.293  0.00  0.00    +0.165 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.324  -2.308   2.143  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1       -3.634  -3.276   2.886  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.925  -4.632   2.725  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.903  -5.034   1.818  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.590  -4.081   1.069  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.301  -2.725   1.227  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7