REMARK  Name = LIG000929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.948  -4.275   0.574  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        0.885  -2.916   0.439  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -0.435  -2.654   0.136  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.776  -1.308  -0.056  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1        0.214  -0.386   0.071  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1        1.482  -0.757   0.373  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1       -1.171  -3.819   0.070  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        1.877  -2.028   0.573  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -0.306  -4.775   0.341  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        2.424   0.243   0.505  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        3.820  -0.128   0.732  0.00  0.00    +0.125 C 
ATOM     12  C   LIG    1        4.611   1.087   1.246  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        4.537   2.244   0.310  0.00  0.00    -0.178 NA
ATOM     14  C   LIG    1        3.412   2.212  -0.663  0.00  0.00    +0.128 C 
ATOM     15  C   LIG    1        2.144   1.551  -0.092  0.00  0.00    +0.125 C 
BRANCH  13  16
ATOM     16  S   LIG    1        5.083   3.732   0.870  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1        6.233   3.491   1.716  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        5.157   4.632  -0.260  0.00  0.00    -0.158 OA
ATOM     19  C   LIG    1        3.744   4.280   1.912  0.00  0.00    +0.215 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  21
ATOM     20  C   LIG    1        2.379  -5.144   2.379  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        2.130  -5.047   0.884  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  N   LIG    1       -2.093  -0.921  -0.350  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1       -2.595  -1.748  -0.682  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.178   0.205  -1.273  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.586   0.660  -1.503  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1       -4.488   0.726  -0.468  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1       -4.284   0.459   0.486  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1       -5.683   1.172  -0.968  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1       -5.438   1.362  -2.323  0.00  0.00    +0.091 A 
ATOM     30  C   LIG    1       -6.469   1.824  -3.151  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1       -7.725   2.079  -2.582  0.00  0.00    +0.061 A 
ATOM     32  C   LIG    1       -7.947   1.877  -1.211  0.00  0.00    +0.061 A 
ATOM     33 CL   LIG    1       -9.484   2.182  -0.475  0.00  0.00    -0.082 Cl
ATOM     34 CL   LIG    1       -8.970   2.648  -3.641  0.00  0.00    -0.082 Cl
ATOM     35  C   LIG    1       -6.922   1.415  -0.371  0.00  0.00    +0.049 A 
ATOM     36  N   LIG    1       -4.141   1.042  -2.636  0.00  0.00    -0.231 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6