REMARK  Name = LIG000549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.431  -0.416   1.380  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -1.466  -0.716   2.738  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1       -2.895  -0.620   3.691  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -0.276  -1.103   3.306  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        0.880  -1.204   2.621  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.829  -0.908   1.318  0.00  0.00    +0.217 A 
ATOM      7  N   LIG    1       -0.284  -0.521   0.678  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.640  -0.022   0.738  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -3.088   0.680   1.344  0.00  0.00    +0.154 HD
BRANCH   8  11
ATOM     10  C   LIG    1       -4.103   0.892  -1.023  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1       -2.924   0.224  -0.627  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1       -2.132  -0.306  -1.658  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.434  -0.088  -3.008  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.558   0.646  -3.366  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.400   1.135  -2.374  0.00  0.00    +0.029 A 
BRANCH  10  16
ATOM     16  S   LIG    1       -5.268   1.478   0.195  0.00  0.00    +0.001 S 
ATOM     17  O   LIG    1       -4.479   1.864   1.355  0.00  0.00    -0.169 OA
ATOM     18  O   LIG    1       -6.142   2.442  -0.447  0.00  0.00    -0.169 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -7.184   0.354   1.774  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1       -6.228   0.020   0.631  0.00  0.00    +0.130 C 
ATOM     21  C   LIG    1       -6.998  -0.539  -0.560  0.00  0.00    +0.032 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   6  22
ATOM     22  N   LIG    1        2.031  -1.001   0.619  0.00  0.00    -0.308 N 
ATOM     23  H   LIG    1        2.767  -0.965   1.321  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.285  -0.241  -0.576  0.00  0.00    +0.108 C 
ATOM     25  C   LIG    1        2.689   1.217  -0.297  0.00  0.00    +0.132 C 
ATOM     26  N   LIG    1        4.085   0.792  -0.471  0.00  0.00    -0.294 N 
ATOM     27  C   LIG    1        5.082   0.967   0.469  0.00  0.00    +0.247 C 
ATOM     28  O   LIG    1        4.939   1.651   1.478  0.00  0.00    -0.270 OA
ATOM     29  C   LIG    1        3.704  -0.465  -1.127  0.00  0.00    +0.132 C 
BRANCH  27  30
ATOM     30  C   LIG    1        6.379   0.280   0.228  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        7.132  -0.136   1.333  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        8.357  -0.777   1.145  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.839  -0.994  -0.146  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.103  -0.563  -1.250  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.876   0.079  -1.066  0.00  0.00    +0.013 A 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7