REMARK  Name = LIG000096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.368   0.248   1.329  0.00  0.00    +0.210 A 
ATOM      2  C   LIG    1       -0.754   1.687   1.383  0.00  0.00    +0.287 A 
ATOM      3  O   LIG    1       -1.942   1.982   1.374  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        0.299   2.569   1.388  0.00  0.00    -0.261 N 
ATOM      5  C   LIG    1        0.001   3.980   1.534  0.00  0.00    +0.157 C 
ATOM      6  C   LIG    1        1.583   2.213   0.973  0.00  0.00    +0.353 A 
ATOM      7  O   LIG    1        2.417   3.101   0.779  0.00  0.00    -0.244 OA
ATOM      8  N   LIG    1        1.805   0.829   0.785  0.00  0.00    -0.181 N 
ATOM      9  N   LIG    1        0.839  -0.127   1.038  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.149  -2.377  -0.213  0.00  0.00    +0.115 C 
ATOM     11  C   LIG    1       -3.004  -2.478   0.793  0.00  0.00    +0.122 C 
ATOM     12  N   LIG    1       -1.944  -1.502   0.541  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -1.379  -0.831   1.625  0.00  0.00    +0.272 C 
ATOM     14  O   LIG    1       -1.637  -1.045   2.803  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.565  -1.240  -0.846  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -2.159  -2.251  -1.817  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -3.677  -2.360  -1.677  0.00  0.00    +0.018 C 
BRANCH  10  18
ATOM     18  C   LIG    1       -5.021  -1.192   0.162  0.00  0.00    +0.312 C 
ATOM     19  O   LIG    1       -6.000  -1.286   0.891  0.00  0.00    -0.250 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -4.553  -0.031  -0.369  0.00  0.00    -0.465 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -4.783   2.303  -0.819  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -5.277   1.142   0.023  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   8  23
ATOM     23  C   LIG    1        3.061   0.254   0.351  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1        4.167   1.017  -0.049  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        5.379   0.428  -0.474  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        6.521   1.319  -0.887  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.498  -0.971  -0.507  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        6.767  -1.646  -0.948  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        4.405  -1.746  -0.114  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        3.213  -1.145   0.304  0.00  0.00    +0.028 A 
ENDBRANCH   8  23
TORSDOF 5