REMARK  Name = LIG001272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.054  -0.733   1.056  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.856  -0.444  -0.059  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.378   0.516  -0.972  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -0.142   1.156  -0.802  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        0.297   2.330  -1.992  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        0.672   0.854   0.297  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        0.192  -0.095   1.222  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -3.163  -1.036  -0.356  0.00  0.00    +0.068 A 
ATOM      9  N   LIG    1       -3.430  -2.388  -0.378  0.00  0.00    -0.277 N 
ATOM     10  H   LIG    1       -2.802  -3.150  -0.122  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -4.702  -2.683  -0.694  0.00  0.00    -0.182 NA
ATOM     12  C   LIG    1       -5.256  -1.497  -0.938  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1       -4.349  -0.441  -0.748  0.00  0.00    +0.049 A 
ENDBRANCH   2   8
BRANCH   1  15
ATOM     14  C   LIG    1       -3.008  -1.263   3.039  0.00  0.00    +0.200 C 
ATOM     15  S   LIG    1       -1.529  -1.915   2.308  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.505  -1.887   3.337  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -1.826  -3.154   1.614  0.00  0.00    -0.170 OA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  C   LIG    1        2.043   1.481   0.546  0.00  0.00    +0.113 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.088   1.130  -0.512  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        3.299  -0.216  -0.868  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.257  -0.571  -1.821  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.035   0.412  -2.427  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.859   1.747  -2.075  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.900   2.102  -1.122  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  N   LIG    1        1.904   2.919   0.806  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1        1.513   3.354  -0.030  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        1.223   3.060   1.548  0.00  0.00    +0.119 HD
ENDBRANCH  18  25
ENDBRANCH   6  18
TORSDOF 5