REMARK  Name = LIG001023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.957  -0.637   1.002  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.001   0.140   0.321  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.335  -0.206   0.430  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.537   0.420  -0.196  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -2.631  -0.359   0.372  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.173  -1.432   1.123  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -2.823  -2.320   1.640  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.714  -1.307   1.194  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.198  -2.104   1.859  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.551  -1.764   1.755  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.850   1.293  -1.302  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        5.112   0.676  -0.317  0.00  0.00    +0.173 A 
ATOM     13  N   LIG    1        6.016   0.396   0.711  0.00  0.00    -0.220 N 
ATOM     14  C   LIG    1        5.584  -0.222   1.877  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        4.298  -0.567   2.029  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.396  -0.254   0.869  0.00  0.00    +0.075 A 
ATOM     17  N   LIG    1        7.274   0.807   0.407  0.00  0.00    -0.172 NA
ATOM     18  N   LIG    1        3.787   0.346  -0.224  0.00  0.00    -0.227 NA
ATOM     19  C   LIG    1        7.161   1.345  -0.809  0.00  0.00    +0.156 A 
BRANCH  11  21
ATOM     20  N   LIG    1        5.014   2.187  -3.575  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        5.370   1.775  -2.550  0.00  0.00    +0.104 C 
ENDBRANCH  11  21
ENDBRANCH   1  16
BRANCH   5  22
ATOM     22  C   LIG    1       -4.000  -0.301  -0.126  0.00  0.00    +0.163 C 
ATOM     23  C   LIG    1       -4.128  -0.893  -1.541  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -3.254  -1.551  -2.099  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -5.319  -0.634  -2.181  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1       -5.389  -1.013  -3.116  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1       -6.160   0.419  -1.923  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -6.995   0.778  -2.747  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -6.016   1.085  -0.574  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -4.561   1.118  -0.130  0.00  0.00    +0.041 C 
ENDBRANCH   5  22
TORSDOF 3