REMARK  Name = LIG000586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.504   0.426  -1.130  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.150  -0.438  -0.329  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.576  -1.648  -0.312  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.444  -2.041  -1.000  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.127  -3.356  -0.720  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.069  -3.756   0.107  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.171  -1.071  -1.808  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.970  -2.759   0.384  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.393   0.164  -1.846  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.124  -2.888   1.261  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.026  -1.969   2.480  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.442  -2.690   0.513  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -1.979   1.726  -1.262  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.197   2.244  -1.661  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.508   2.337  -0.041  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.672   3.108  -1.143  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.385   3.538  -0.447  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -1.343   2.791   0.870  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.456   3.686   0.195  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -0.929   4.524   0.053  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        1.323  -1.363  -2.542  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.725  -2.247  -2.241  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.251  -0.271  -2.787  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.984   0.187  -1.524  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.882  -0.904  -0.935  0.00  0.00    +0.036 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.653  -0.404   0.262  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        4.057  -0.389   1.531  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.761   0.087   2.637  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.065   0.556   2.486  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.664   0.552   1.228  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.961   0.076   0.119  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11