REMARK  Name = LIG000678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.408  -0.017  -1.446  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        2.020   0.948  -0.507  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.875   0.763   0.271  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.104  -0.398   0.134  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        0.490  -1.362  -0.806  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.636  -1.177  -1.584  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.658   0.182  -2.264  0.00  0.00    +0.139 C 
BRANCH   7   9
ATOM      8  C   LIG    1        5.620   0.690  -0.860  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1        4.827  -0.223  -1.518  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        4.900  -1.200  -1.266  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        5.471   1.904  -0.938  0.00  0.00    -0.276 OA
BRANCH   8  12
ATOM     12  C   LIG    1        6.703   0.036  -0.033  0.00  0.00    +0.107 C 
BRANCH  12  13
ATOM     13  C   LIG    1        7.569   1.067   0.679  0.00  0.00    +0.129 C 
BRANCH  13  15
ATOM     14  O   LIG    1        8.831  -0.803   1.607  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1        8.635   0.395   1.494  0.00  0.00    +0.305 C 
BRANCH  15  16
ATOM     16  O   LIG    1        9.415   1.283   2.139  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       10.061   0.731   2.628  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.142  -0.594   0.959  0.00  0.00    +0.269 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.265  -0.220   0.159  0.00  0.00    -0.446 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.451  -0.360   0.790  0.00  0.00    +0.401 C 
ATOM     21  N   LIG    1       -4.452   0.026  -0.043  0.00  0.00    -0.270 N 
ATOM     22  H   LIG    1       -4.160   0.506  -0.890  0.00  0.00    +0.153 HD
ATOM     23  O   LIG    1       -3.607  -0.761   1.933  0.00  0.00    -0.226 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.823   0.174   0.406  0.00  0.00    +0.163 C 
ATOM     25  C   LIG    1       -6.590   1.022  -0.613  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1       -6.034   1.740  -1.443  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -7.960   0.958  -0.540  0.00  0.00    -0.255 N 
ATOM     28  H   LIG    1       -8.459   1.510  -1.226  0.00  0.00    +0.158 HD
ATOM     29  C   LIG    1       -8.695  -0.042   0.045  0.00  0.00    +0.219 C 
ATOM     30  O   LIG    1       -9.894  -0.163  -0.188  0.00  0.00    -0.275 OA
ATOM     31  C   LIG    1       -7.961  -0.947   1.006  0.00  0.00    +0.098 C 
ATOM     32  C   LIG    1       -6.524  -1.171   0.565  0.00  0.00    +0.041 C 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10