REMARK  Name = LIG000582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.279   0.177   0.260  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -2.158  -0.036  -0.511  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.061  -0.839   0.035  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.268  -1.330  -1.186  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -1.263  -1.191  -2.331  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.022   0.081  -1.957  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.341  -0.241   1.423  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.146  -0.005   0.949  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.692  -0.774   1.735  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        0.741  -1.767   1.552  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.115   1.224   0.933  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        1.788  -0.185   2.484  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        1.899  -0.846   3.859  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  C   LIG    1        3.057  -0.270   1.652  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        3.872  -1.406   1.625  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        5.013  -1.450   0.814  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.378  -0.369  -0.009  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        4.544   0.758   0.011  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.403   0.805   0.822  0.00  0.00    +0.006 A 
BRANCH  17  20
ATOM     20  C   LIG    1        6.639  -0.456  -0.886  0.00  0.00    -0.013 C 
ATOM     21  C   LIG    1        6.500  -1.630  -1.879  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1        7.878  -0.688   0.005  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        6.909   0.818  -1.720  0.00  0.00    +0.015 C 
ENDBRANCH  17  20
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  24
ATOM     24  O   LIG    1       -2.116  -2.339  -2.337  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -3.052  -2.041  -2.322  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1       -4.501   0.882  -0.378  0.00  0.00    +0.164 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -6.758  -2.150  -0.638  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -5.684  -1.172  -1.032  0.00  0.00    +0.211 C 
ATOM     29  N   LIG    1       -5.612  -0.061  -0.215  0.00  0.00    -0.304 N 
ATOM     30  H   LIG    1       -5.910  -0.213   0.742  0.00  0.00    +0.149 HD
ATOM     31  O   LIG    1       -4.929  -1.375  -1.980  0.00  0.00    -0.276 OA
ENDBRANCH  26  29
BRANCH  26  32
ATOM     32  C   LIG    1       -4.792   2.290   0.228  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1       -3.575   3.210  -0.004  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -5.103   2.263   1.736  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -6.003   2.912  -0.501  0.00  0.00    +0.013 C 
ENDBRANCH  26  32
ENDBRANCH   1  26
TORSDOF 8