REMARK  Name = LIG000004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.365  -0.505  -0.319  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.613  -1.626   0.001  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.002  -2.766   0.167  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.781  -1.184   0.106  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.816   0.193  -0.082  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -2.022   0.874  -0.030  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.223   0.169   0.212  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -3.134  -1.237   0.398  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.916  -1.925   0.349  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.565   0.714  -0.303  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        6.559   1.168   0.168  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.489   0.583   0.028  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.714   0.257   1.111  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.056   0.611   1.994  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.361   0.001   1.081  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.672   0.195   2.079  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        2.822  -0.512  -0.266  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        3.450   0.301  -1.393  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        4.964   0.170  -1.328  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -4.536   0.932   0.265  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -5.633   0.537   1.223  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -5.817   0.326  -0.253  0.00  0.00    +0.009 C 
ENDBRANCH   7  20
TORSDOF 2