REMARK  Name = LIG001295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.664   0.802   0.511  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1       -0.187  -0.209   0.942  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1       -1.391   0.260   1.204  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1       -1.530   1.973   1.032  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.095   2.060   0.510  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1       -2.367  -0.558   1.666  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -2.073  -1.526   1.678  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1       -3.738  -0.469   1.341  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1       -4.187   0.392   0.404  0.00  0.00    -0.234 NA
ATOM     10  CA  LIG    1       -5.518   0.453   0.140  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -6.439  -0.361   0.787  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -5.982  -1.244   1.755  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.620  -1.296   2.037  0.00  0.00    +0.044 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -5.944   1.413  -0.944  0.00  0.00    +0.211 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -7.265   1.913  -0.737  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -7.386   2.626  -1.387  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  17
ATOM     17  C   LIG    1        2.077   0.450   0.162  0.00  0.00    +0.152 C 
BRANCH  17  20
ATOM     18  N   LIG    1        3.660   0.396  -1.776  0.00  0.00    -0.264 N 
ATOM     19  H   LIG    1        3.826   0.614  -2.748  0.00  0.00    +0.157 HD
ATOM     20  C   LIG    1        2.440   0.762  -1.284  0.00  0.00    +0.224 C 
ATOM     21  O   LIG    1        1.682   1.357  -2.058  0.00  0.00    -0.275 OA
BRANCH  18  25
ATOM     22  C   LIG    1        8.201  -1.715  -0.669  0.00  0.00    +0.053 C 
ATOM     23  C   LIG    1        6.820  -1.172  -0.611  0.00  0.00    +0.008 A 
ATOM     24  S   LIG    1        6.068  -0.514  -2.006  0.00  0.00    -0.057 S 
ATOM     25  C   LIG    1        4.672  -0.191  -1.079  0.00  0.00    +0.165 A 
ATOM     26  N   LIG    1        4.718  -0.523   0.184  0.00  0.00    -0.233 NA
ATOM     27  C   LIG    1        5.949  -1.091   0.457  0.00  0.00    +0.124 A 
ENDBRANCH  18  25
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7