REMARK  Name = LIG000603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.975   0.487   0.520  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.931   1.280  -0.110  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.201  -0.033   1.019  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -0.236  -0.914   1.868  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.447   0.537   0.452  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.532  -0.314   0.140  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.688   0.256  -0.403  0.00  0.00    +0.047 A 
ATOM      8  N   LIG    1       -4.584  -0.767  -0.625  0.00  0.00    -0.361 N 
ATOM      9  H   LIG    1       -5.511  -0.645  -1.009  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -4.038  -1.965  -0.249  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1       -3.819   1.630  -0.637  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.742   2.455  -0.302  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -2.772  -1.717   0.228  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.572   1.923   0.237  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1        4.860  -0.597  -2.014  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.173  -0.459  -1.005  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        4.282   0.668  -0.232  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        4.908   1.366  -0.611  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        3.293   1.161   0.581  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        3.176   2.376   0.748  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        2.265   0.157   1.115  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1        2.715  -1.280   0.846  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        3.110  -1.454  -0.611  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2