REMARK  Name = BDB057240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.446   1.533   0.365  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.633   0.956  -0.122  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.720   0.703   0.728  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.600   1.038   2.084  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.429   1.615   2.580  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.358   1.862   1.724  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.960   0.104   0.249  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -4.995  -0.272   1.104  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -5.914  -0.749   0.309  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -7.268  -1.317   0.444  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -7.777  -1.249  -1.019  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -6.518  -1.206  -1.907  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -5.521  -0.703  -0.989  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -4.293  -0.163  -1.075  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.722   1.791  -0.560  0.00  0.00    +0.142 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.950   1.421   0.388  0.00  0.00    +0.247 C 
ATOM     17  N   LIG    1        1.856   0.906  -0.304  0.00  0.00    -0.296 N 
ATOM     18  C   LIG    1        1.717  -0.484  -0.725  0.00  0.00    +0.132 C 
ATOM     19  O   LIG    1        2.968   2.537   0.903  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        6.022  -0.594  -0.498  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.851   0.156  -0.627  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.175   0.604   0.512  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        4.685   0.342   1.786  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        5.854  -0.405   1.916  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.518  -0.877   0.778  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.806  -1.703  -1.610  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.580  -0.987  -1.683  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 5