REMARK  Name = LIG000091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.000  -1.139   1.194  0.00  0.00    +0.215 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.751  -0.068   0.443  0.00  0.00    +0.109 A 
ATOM      3  S   LIG    1       -2.940  -0.458  -0.743  0.00  0.00    -0.070 S 
ATOM      4  C   LIG    1       -3.196   1.216  -1.047  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.349   1.962  -0.227  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.388   3.368  -0.310  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -3.268   3.987  -1.204  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.104   3.224  -2.012  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.083   1.827  -1.948  0.00  0.00    +0.017 A 
ATOM     10  N   LIG    1       -1.527   1.221   0.607  0.00  0.00    -0.242 NA
ENDBRANCH   1   2
BRANCH   1  13
ATOM     11  O   LIG    1       -0.638  -2.700   3.463  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -1.556  -2.994   2.699  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1       -1.895  -2.207   1.624  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.401  -2.685   0.883  0.00  0.00    +0.150 HD
BRANCH  12  15
ATOM     15  C   LIG    1       -2.433  -4.210   2.950  0.00  0.00    +0.204 C 
ATOM     16 CL   LIG    1       -3.261  -4.758   1.474  0.00  0.00    -0.116 Cl
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   1  17
ATOM     17  C   LIG    1        0.088  -1.690   0.247  0.00  0.00    +0.240 C 
ATOM     18  N   LIG    1        1.175  -0.858   0.066  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        1.110   0.107   0.375  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -0.014  -2.779  -0.320  0.00  0.00    -0.273 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.213  -1.194  -0.877  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.338  -0.200  -0.805  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        4.342  -0.335   0.164  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.372   0.604   0.252  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.403   1.689  -0.622  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.404   1.839  -1.582  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.373   0.902  -1.671  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  17
TORSDOF 6