REMARK  Name = LIG000770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.287  -1.128   1.236  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.304  -0.216   0.918  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.464  -0.719   0.357  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.673  -0.001  -0.060  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.524  -0.937  -0.620  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.014  -2.294  -0.472  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.858   1.188   0.105  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.656  -2.074   0.102  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.662  -2.986   0.401  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.472  -2.505   0.963  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.906  -0.693  -1.020  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.768  -0.402   0.209  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.916  -1.222   1.115  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.341   0.841   0.291  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.897   1.015   1.117  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.160   1.921  -0.531  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.723   2.988  -0.292  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.232   1.753  -1.708  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.101   0.309  -2.155  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.012  -0.645   1.826  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        4.065   0.093   0.031  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        3.650  -0.198  -0.841  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        3.293  -0.140   1.148  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        1.994  -0.438   0.786  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        1.662   0.048  -0.033  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        3.660  -0.118   2.314  0.00  0.00    -0.252 OA
BRANCH  21  32
ATOM     27  C   LIG    1        9.542   1.734  -0.443  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        8.110   1.310  -0.275  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        7.481   1.295   0.979  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        8.324   1.773   2.410  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        6.145   0.894   1.108  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        5.414   0.499  -0.012  0.00  0.00    +0.036 A 
ATOM     33  C   LIG    1        6.035   0.520  -1.266  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        7.368   0.918  -1.397  0.00  0.00    +0.006 A 
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4