REMARK  Name = LIG001345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.557   2.967  -0.875  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.323   1.775  -0.580  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -0.249   0.594  -0.154  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        0.555  -0.504   0.175  0.00  0.00    +0.264 A 
ATOM      5  O   LIG    1        0.091  -1.574   0.570  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.018  -0.350   0.013  0.00  0.00    +0.085 A 
ATOM      7  C   LIG    1        2.461   0.876  -0.484  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1        3.827   1.075  -0.697  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.744   0.069  -0.405  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.296  -1.150   0.104  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.929  -1.393   0.292  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1        1.593   1.935  -0.763  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.705   0.425   0.020  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -2.049   0.245   1.504  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.442   0.814   2.409  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.172  -0.502   1.778  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.402  -0.606   2.757  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.097  -0.989   0.890  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.139  -1.507   1.280  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.814  -0.761  -0.577  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.320  -0.676  -0.849  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
BRANCH  11  22
ATOM     22  N   LIG    1        2.553  -2.580   0.943  0.00  0.00    -0.357 N 
ATOM     23  H   LIG    1        3.118  -3.392   0.724  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        1.545  -2.759   0.884  0.00  0.00    +0.142 HD
ENDBRANCH  11  22
TORSDOF 2