REMARK  Name = LIG001335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.129   0.183   0.637  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.883   1.161   0.517  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.066  -0.696   0.714  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -0.132  -1.778   1.286  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.213  -0.244   0.095  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.407  -0.795   0.586  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.609  -0.369   0.006  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.656   0.561  -1.032  0.00  0.00    -0.000 A 
ATOM      9  C   LIG    1        5.026   0.749  -1.363  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        5.773  -0.057  -0.534  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1        2.448   1.091  -1.524  0.00  0.00    +0.011 A 
ATOM     12  N   LIG    1        4.908  -0.731   0.287  0.00  0.00    -0.361 N 
ATOM     13  H   LIG    1        5.177  -1.398   0.998  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1        1.233   0.679  -0.957  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -5.457   0.645  -1.256  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.630   0.341  -0.399  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.365   1.184   0.648  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.851   2.070   0.595  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.186   1.216   1.349  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.761   2.279   1.802  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.358  -0.074   1.384  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.172  -1.254   0.851  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.795  -0.912  -0.493  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2