REMARK  Name = LIG000639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.083   0.636  -0.632  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.755   0.365  -0.451  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.225  -0.677  -0.111  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.023   1.601  -0.726  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.963   2.573  -1.020  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.610   3.871  -1.325  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.754   4.169  -1.328  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.717   3.178  -1.028  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.338   1.866  -0.717  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.284   1.956  -0.932  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.332   2.546  -1.107  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.937  -3.557   1.461  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.418  -2.588   0.915  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.018  -1.495   1.642  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.122  -1.571   2.645  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.323  -0.393   1.195  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.910   0.448   1.991  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.174  -0.276  -0.326  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.026  -1.662  -0.948  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.238  -2.506  -0.584  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        2.240   0.834  -0.400  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.839  -0.083  -0.168  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.620   0.893  -0.346  0.00  0.00    +0.268 C 
ATOM     24  O   LIG    1        4.324   1.868  -0.581  0.00  0.00    -0.268 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.252  -0.401   0.043  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1        3.416  -1.453   0.278  0.00  0.00    -0.247 NA
ATOM     27  C   LIG    1        4.033  -2.604   0.631  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        5.411  -2.709   0.742  0.00  0.00    +0.130 A 
ATOM     29  N   LIG    1        6.241  -1.666   0.505  0.00  0.00    -0.259 NA
ATOM     30  C   LIG    1        5.630  -0.505   0.153  0.00  0.00    +0.143 A 
ENDBRANCH  23  25
ENDBRANCH   9  21
TORSDOF 3