REMARK  Name = LIG001084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.006   1.260  -0.393  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -3.751   0.208  -0.028  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -3.033  -0.919   0.142  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -1.664  -0.973  -0.021  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -1.320  -2.274   0.208  0.00  0.00    -0.272 N 
ATOM      6  H   LIG    1       -0.399  -2.691   0.138  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -2.355  -3.062   0.565  0.00  0.00    -0.176 NA
ATOM      8  C   LIG    1       -0.947   0.156  -0.375  0.00  0.00    +0.149 A 
ATOM      9  C   LIG    1       -3.406  -2.233   0.498  0.00  0.00    +0.092 A 
ATOM     10  N   LIG    1       -1.668   1.281  -0.568  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.865  -2.659   0.820  0.00  0.00    +0.042 C 
ATOM     12  C   LIG    1       -5.910  -2.334  -0.279  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -6.587  -3.674   0.077  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -5.206  -4.151   0.570  0.00  0.00    +0.010 C 
ENDBRANCH   9  11
BRANCH   8  15
ATOM     15  N   LIG    1        0.431   0.139  -0.539  0.00  0.00    -0.323 N 
ATOM     16  H   LIG    1        0.914  -0.490   0.091  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.069   1.442  -0.653  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.566   1.246  -0.700  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        3.367   1.556   0.405  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.752   1.349   0.362  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        5.380   0.824  -0.782  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.558   0.503  -1.877  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        3.175   0.711  -1.841  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1        6.840   0.599  -0.845  0.00  0.00    +0.071 A 
ATOM     25  N   LIG    1        7.241  -0.463  -1.592  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        8.566  -0.713  -1.679  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        9.537   0.051  -1.058  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        9.124   1.140  -0.304  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.762   1.420  -0.195  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   8  15
BRANCH   1  30
ATOM     30  S   LIG    1       -3.833   2.813  -0.675  0.00  0.00    -0.084 S 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.295   2.619   0.406  0.00  0.00    +0.105 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -4.921   2.660   1.887  0.00  0.00    +0.167 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.359   3.921   2.242  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -3.637   4.097   1.611  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 9