REMARK  Name = LIG000677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.142   0.212  -0.879  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.363   0.646  -0.532  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.326   1.831   0.092  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.204   2.582   0.389  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.551   3.754   1.032  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -2.863   3.703   1.131  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.033   2.048  -0.007  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -3.378   2.558   0.578  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1        0.020   0.856  -0.658  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.782   2.176   0.514  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -5.378   1.990   1.910  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.598   3.169  -0.312  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -0.992  -1.012  -1.527  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1        0.002  -1.204  -1.419  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -1.875  -2.080  -1.051  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -0.764  -3.864  -2.563  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -1.125  -3.429  -1.148  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -3.207  -2.083  -1.837  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -4.047  -3.179  -1.472  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.719  -3.963  -1.944  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.236   2.711   0.271  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.027   3.680   0.505  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.317   2.523  -0.683  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.135   1.257  -0.420  0.00  0.00    +0.025 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.691   1.194   1.004  0.00  0.00    +0.057 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.660   0.048   1.159  0.00  0.00    +0.042 A 
ATOM     27  N   LIG    1        4.133  -1.194   1.292  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        4.984  -2.239   1.421  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        4.378  -3.601   1.573  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1        6.365  -2.084   1.414  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        6.894  -0.807   1.270  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.032   0.277   1.139  0.00  0.00    +0.023 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11