REMARK  Name = BDB005090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.342  -2.182  -2.683  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.198  -1.877   0.167  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        1.333  -1.555  -0.888  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        0.612  -2.550  -1.570  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        0.759  -3.884  -1.172  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.620  -4.212  -0.126  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.337  -3.214   0.539  0.00  0.00    +0.023 A 
BRANCH   2   9
ATOM      8  C   LIG    1        3.771  -0.861   1.837  0.00  0.00    +0.266 C 
ATOM      9  N   LIG    1        2.874  -0.805   0.788  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        2.671   0.110   0.416  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.136  -1.882   2.410  0.00  0.00    -0.268 OA
BRANCH   8  17
ATOM     12  C   LIG    1        5.070   4.000   2.639  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        4.904   2.527   2.657  0.00  0.00    +0.060 A 
ATOM     14  N   LIG    1        5.580   1.785   3.540  0.00  0.00    -0.178 NA
ATOM     15  N   LIG    1        5.191   0.528   3.273  0.00  0.00    -0.272 N 
ATOM     16  H   LIG    1        5.573  -0.235   3.823  0.00  0.00    +0.189 HD
ATOM     17  C   LIG    1        4.287   0.426   2.247  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        4.083   1.727   1.827  0.00  0.00    +0.057 A 
ENDBRANCH   8  17
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  N   LIG    1       -1.678  -1.937  -2.151  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.841  -2.502  -1.322  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.045  -0.604  -1.880  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -3.321  -0.335  -1.336  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.632   1.016  -1.087  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -4.895   1.304  -0.526  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -5.820   0.281  -0.238  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.512  -1.043  -0.504  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -2.742   1.988  -1.389  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -1.577   1.623  -1.935  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -4.274  -1.347  -1.051  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -1.184   0.378  -2.191  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -5.353   2.692  -0.201  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -6.465   2.909   0.268  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -4.503   3.731  -0.436  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -3.594   3.573  -0.862  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -4.817   4.672  -0.251  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6