REMARK  Name = LIG000298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037  -0.371  -3.043  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.648   0.251  -1.938  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.744  -0.359  -1.355  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -2.578   0.085  -0.200  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.510  -1.026  -0.037  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.378  -1.969  -1.045  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.063  -2.955  -1.244  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.225  -1.565  -1.857  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.653  -2.207  -2.937  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.543  -1.600  -3.531  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.690  -0.965   0.817  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.740   0.027   0.290  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.720   0.535  -0.829  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.750   0.337   1.173  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.428   1.002   0.826  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.681   0.247   2.541  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.468   0.859   3.256  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.610  -0.657   3.106  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.347  -0.608   2.260  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.181   0.255  -3.679  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        3.990   0.073  -1.383  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        4.385  -0.695  -1.903  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        2.884   0.662  -1.957  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        2.388  -0.127  -2.975  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.531  -1.119  -2.870  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        2.389   1.739  -1.653  0.00  0.00    -0.252 OA
BRANCH  21  32
ATOM     27  C   LIG    1        7.168   1.684   3.114  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        6.309   1.297   1.944  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        5.123   1.978   1.634  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        4.577   3.310   2.594  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.339   1.597   0.538  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        4.726   0.527  -0.270  0.00  0.00    +0.036 A 
ATOM     33  C   LIG    1        5.904  -0.162   0.041  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        6.688   0.219   1.134  0.00  0.00    +0.006 A 
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4