REMARK  Name = LIG000595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304  -0.902  -0.785  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.454  -0.360  -0.361  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.350   0.957  -0.141  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.228   1.744  -0.314  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.492   3.058   0.018  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -2.757   3.063   0.382  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.067   1.093  -0.763  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -3.320   1.814   0.304  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.144  -0.247  -0.983  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.691   1.455   0.638  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -5.693   2.159  -0.276  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.000   1.718   2.111  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -1.233  -2.262  -1.043  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -0.345  -2.385  -1.524  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.361  -2.941  -1.701  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.724  -2.235  -4.070  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -2.817  -2.279  -3.010  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -3.536  -3.162  -0.726  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.060  -3.740   0.490  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -2.250  -3.230   0.699  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        1.125   1.798  -0.990  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.057   2.706  -0.530  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.333   1.045  -0.683  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.554   1.928  -0.956  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.877   1.174  -0.800  0.00  0.00    +0.036 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.159   0.738   0.617  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        5.022  -0.607   0.989  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        5.258  -1.016   2.308  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        5.135  -2.462   2.687  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        5.662  -0.068   3.254  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        5.802   1.272   2.893  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.550   1.674   1.582  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11