REMARK  Name = LIG000003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.412   0.483   0.309  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.535   1.227   1.086  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.736   2.304   1.614  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.283   0.466   1.160  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.469  -0.741   0.488  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.438  -1.662   0.405  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.792  -1.351   1.015  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.955  -0.113   1.685  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.091   0.808   1.765  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.863  -0.821  -0.039  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.823  -0.001  -0.375  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.660   0.337  -0.180  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.043   0.094   1.021  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.595  -0.451   1.671  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.683   0.012   1.217  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.230  -0.674   2.129  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.829   0.811   0.217  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.386   0.600  -1.187  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.838   1.051  -1.228  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.952  -2.315   0.931  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.874  -1.929  -0.114  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.466  -1.744  -1.018  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        3.977  -1.158   0.179  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.640  -0.806  -0.980  0.00  0.00    -0.267 N 
ATOM     25  H   LIG    1        4.729  -1.594  -1.611  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.329  -0.877   1.316  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.751   0.082  -0.980  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1        5.741   1.339  -0.347  0.00  0.00    +0.064 A 
ATOM     29 CL   LIG    1        4.315   2.035   0.348  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        6.883   2.151  -0.369  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        8.033   1.740  -1.042  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        8.039   0.521  -1.716  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        6.904  -0.294  -1.694  0.00  0.00    +0.064 A 
ATOM     34 CL   LIG    1        6.970  -1.797  -2.554  0.00  0.00    -0.082 Cl
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4