REMARK  Name = LIG000550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.986   0.311   0.366  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.890   1.321   0.318  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.193  -0.401   0.461  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.262  -1.512   0.978  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.422   0.265  -0.056  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.687  -0.213   0.330  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -3.880   0.365  -0.100  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.943  -0.368   0.498  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -4.386  -1.369   1.260  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1       -3.822   1.470  -0.971  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.576   1.949  -1.391  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.026  -1.271   1.149  0.00  0.00    -0.360 N 
ATOM     13  H   LIG    1       -2.340  -1.882   1.579  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1       -1.395   1.354  -0.944  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1        5.236   0.236  -1.761  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.417   0.007  -0.875  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        4.338   0.811   0.233  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        4.951   1.615   0.198  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        3.213   0.979   0.997  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        2.975   2.066   1.526  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        2.202  -0.173   1.016  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1        2.794  -1.425   0.369  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        3.392  -1.094  -0.989  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2