REMARK  Name = LIG000410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.101   0.115   0.971  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.256  -0.161  -0.070  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.279   0.270  -1.207  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.285  -1.135   0.424  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.627  -1.438   1.728  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.910  -2.344   2.483  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.193  -2.953   1.875  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.552  -2.655   0.535  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        0.202  -1.722  -0.201  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.809  -0.650   2.067  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        3.381  -0.699   3.140  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.445   2.816  -1.030  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.494   2.269  -0.480  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.398   0.901  -0.427  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.118   0.388  -0.917  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.381   0.144   0.112  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        5.403  -1.082   0.022  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.306   0.925   0.875  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.093   2.293   0.233  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.412   3.053   0.227  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1       -1.764  -3.306  -0.090  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.956  -2.522   0.147  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1       -3.179  -2.337   1.113  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1       -3.349  -1.556  -0.757  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1       -4.467  -0.890  -0.302  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1       -4.953  -1.337   0.461  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1       -2.763  -1.365  -1.814  0.00  0.00    -0.252 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -5.107   0.216  -0.895  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1       -6.325   0.627  -0.338  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -7.016   1.723  -0.864  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -6.488   2.417  -1.948  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -7.335   3.766  -2.596  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -5.276   2.024  -2.507  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1       -4.586   0.926  -1.980  0.00  0.00    +0.025 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4