REMARK  Name = LIG000176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.118  -1.793  -1.357  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.202  -0.917  -1.204  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.128  -1.120  -0.171  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -2.010  -2.168   0.725  0.00  0.00    +0.100 A 
ATOM      5  N   LIG    1       -2.922  -2.385   1.762  0.00  0.00    -0.131 NA
ATOM      6  N   LIG    1       -3.912  -1.634   1.890  0.00  0.00    -0.061 NA
ATOM      7  N   LIG    1       -4.128  -0.580   1.047  0.00  0.00    -0.198 N 
ATOM      8  C   LIG    1       -0.921  -3.032   0.586  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.269  -0.231   0.022  0.00  0.00    +0.278 A 
ATOM     10  O   LIG    1       -3.413   0.749  -0.705  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1        0.017  -2.845  -0.437  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -5.312   0.227   1.336  0.00  0.00    +0.199 C 
ATOM     13  C   LIG    1       -6.280   0.206   0.147  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -6.393  -0.743  -0.627  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.122   1.291   0.039  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.769   1.269  -0.737  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.210   2.381   0.868  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.055   3.252   0.681  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.277   2.405   2.056  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -4.986   1.658   1.762  0.00  0.00    +0.046 C 
ENDBRANCH   7  12
BRANCH   1  21
ATOM     21  C   LIG    1        0.931  -1.606  -2.442  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        0.326  -1.319  -3.817  0.00  0.00    +0.033 C 
BRANCH  21  26
ATOM     23  N   LIG    1        3.624   0.359  -0.982  0.00  0.00    -0.269 N 
ATOM     24  H   LIG    1        3.367   1.158  -1.543  0.00  0.00    +0.156 HD
ATOM     25  C   LIG    1        2.949  -0.806  -1.278  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1        1.848  -0.538  -2.070  0.00  0.00    -0.293 N 
ATOM     27  H   LIG    1        1.422   0.362  -1.911  0.00  0.00    +0.151 HD
ATOM     28  O   LIG    1        3.256  -1.938  -0.930  0.00  0.00    -0.252 OA
BRANCH  23  34
ATOM     29  C   LIG    1        8.168   1.203   2.422  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1        6.980   0.987   1.529  0.00  0.00    -0.032 A 
ATOM     31  C   LIG    1        6.464   2.004   0.716  0.00  0.00    +0.046 A 
ATOM     32 CL   LIG    1        7.165   3.584   0.693  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        5.355   1.771  -0.106  0.00  0.00    +0.043 A 
ATOM     34  C   LIG    1        4.741   0.515  -0.136  0.00  0.00    +0.036 A 
ATOM     35  C   LIG    1        5.246  -0.499   0.677  0.00  0.00    +0.024 A 
ATOM     36  C   LIG    1        6.355  -0.267   1.499  0.00  0.00    +0.006 A 
ENDBRANCH  23  34
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 4