REMARK  Name = LIG002000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.578  -1.225  -0.470  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.607  -0.476   0.220  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.726  -0.666  -0.102  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.947  -0.040   0.481  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.016  -0.568  -0.365  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.545  -1.566  -1.210  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.182  -2.319  -1.921  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.084  -1.578  -1.090  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.157  -2.324  -1.793  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.193  -2.136  -1.480  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        4.931   2.843   1.138  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        5.435   1.468   0.934  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.715   0.358   0.541  0.00  0.00    +0.159 A 
ATOM     14  N   LIG    1        5.624  -0.701   0.486  0.00  0.00    -0.221 N 
ATOM     15  C   LIG    1        5.201  -1.973   0.122  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        3.918  -2.199  -0.190  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        3.012  -1.002  -0.123  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        6.875  -0.310   0.828  0.00  0.00    -0.173 NA
ATOM     19  N   LIG    1        3.391   0.195   0.237  0.00  0.00    -0.228 NA
ATOM     20  C   LIG    1        6.752   0.991   1.093  0.00  0.00    +0.140 A 
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  C   LIG    1       -4.440  -0.408  -0.047  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -4.691   0.695   0.994  0.00  0.00    +0.240 C 
ATOM     23  O   LIG    1       -4.419   0.558   2.186  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1       -5.093   1.919   0.516  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1       -5.168   2.657   1.203  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1       -5.149   2.325  -0.793  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1       -5.275   3.513  -1.078  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1       -4.981   1.255  -1.844  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -5.306  -0.120  -1.280  0.00  0.00    +0.041 C 
ENDBRANCH   5  21
TORSDOF 2