REMARK  Name = LIG000894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.423  -0.297   0.570  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.804  -0.435  -0.642  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        3.231  -0.202  -1.757  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.465  -0.955  -0.373  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.356  -1.139   0.992  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.202  -1.623   1.572  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.864  -1.925   0.717  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.758  -1.753  -0.688  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        0.431  -1.250  -1.242  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.627  -0.740   1.592  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.877  -0.802   2.781  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        8.770   0.531  -0.360  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        7.594   0.406  -0.029  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        7.021  -0.835   0.095  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.607  -1.619  -0.163  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.702  -1.133   0.356  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        5.306  -2.297   0.313  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.822   0.055   0.759  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        5.260   1.310   0.010  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.723   1.591   0.318  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1       -1.937  -2.075  -1.577  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.803  -0.927  -1.732  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1       -2.374  -0.095  -2.106  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1       -3.862  -0.725  -0.869  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1       -4.512   0.453  -1.165  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1       -4.288   0.855  -2.062  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1       -4.157  -1.522   0.011  0.00  0.00    -0.252 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -5.578   1.046  -0.458  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1       -6.035   0.596   0.783  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -7.092   1.251   1.419  0.00  0.00    +0.043 A 
ATOM     31 CL   LIG    1       -7.649   0.693   2.949  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -7.700   2.358   0.831  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -7.247   2.817  -0.403  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -6.189   2.165  -1.042  0.00  0.00    +0.023 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4