REMARK  Name = LIG000649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.612  -0.279  -0.656  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.197   0.900  -0.389  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.325   1.819   0.043  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1        0.035   1.654   0.226  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.619   2.823   0.672  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.378   3.678   0.767  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.561   0.386  -0.072  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.575   3.117   0.397  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.302  -0.564  -0.520  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.859   3.802   0.391  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.446   3.914  -1.016  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.854   3.170   1.366  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.379  -1.341  -1.110  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.799  -2.167  -1.010  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.749  -1.441  -0.610  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.219  -3.225   1.191  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.785  -1.845   0.881  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -4.536  -2.413  -1.518  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -5.886  -2.581  -1.097  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -5.884  -3.178  -0.330  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        1.924   0.105   0.096  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        2.432   0.984   0.184  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.469  -0.855  -0.851  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.979  -1.072  -0.638  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        4.323  -1.506   0.792  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.796  -1.905   0.925  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        6.723  -1.162  -0.038  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        6.187   0.219  -0.389  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        4.817   0.148  -1.069  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 9