REMARK  Name = LIG000886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.112   0.315   0.239  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.148  -0.819  -0.551  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.055  -1.221  -1.251  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.837  -1.465  -0.431  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.016  -0.659   0.364  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.701  -1.024   0.644  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        0.263  -2.227   0.063  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        1.102  -3.032  -0.738  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.414  -2.650  -0.994  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.776   0.564   0.760  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.432   1.242  -2.272  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.471   1.228  -1.506  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.365   1.993  -1.766  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.382   2.493  -2.643  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.208   2.099  -1.039  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        4.253   2.747  -1.470  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.144   1.345   0.289  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.510   0.894   0.802  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.447   0.367  -0.269  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1       -0.120  -0.174   1.403  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        0.384   0.461   2.004  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.502  -0.166   1.540  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -2.044   0.742   2.604  0.00  0.00    +0.058 C 
ATOM     24  C   LIG    1       -3.330   0.583   2.909  0.00  0.00    +0.073 C 
ATOM     25  N   LIG    1       -4.115  -0.326   2.259  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -5.117  -0.125   2.300  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -3.731  -0.773   0.935  0.00  0.00    +0.267 C 
ATOM     28  N   LIG    1       -2.272  -0.877   0.782  0.00  0.00    -0.232 NA
BRANCH  27  29
ATOM     29  N   LIG    1       -4.296  -0.062  -0.226  0.00  0.00    -0.261 NA
ATOM     30  C   LIG    1       -5.765  -0.201  -0.352  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1       -6.036   0.007  -1.852  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1       -4.674   0.015  -2.521  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -3.753  -0.590  -1.484  0.00  0.00    +0.088 C 
BRANCH  30  34
ATOM     34  C   LIG    1       -6.571   0.820   0.474  0.00  0.00    +0.174 C 
BRANCH  34  35
ATOM     35  O   LIG    1       -6.688   0.405   1.836  0.00  0.00    -0.393 OA
ATOM     36  H   LIG    1       -7.227   1.082   2.282  0.00  0.00    +0.209 HD
ENDBRANCH  34  35
ENDBRANCH  30  34
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6