REMARK  Name = BDB062384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.661  -0.368  -0.156  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1       -2.047   0.547   0.810  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.184   1.649   0.660  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.329   2.761   1.516  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.312   2.760   2.500  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.156   1.667   2.638  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -0.278   1.371  -0.414  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -3.065   0.533   1.802  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -4.029  -0.595   2.048  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -0.611   0.122  -0.890  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -2.226  -1.683  -0.416  0.00  0.00    +0.124 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.341  -1.636  -1.455  0.00  0.00    +0.049 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.019  -2.995  -1.588  0.00  0.00    +0.161 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.160  -2.352  -2.414  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1       -4.937  -3.026  -2.679  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   7  16
ATOM     16  C   LIG    1        0.817   2.252  -0.936  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.105   1.793  -0.409  0.00  0.00    -0.292 N 
ATOM     18  C   LIG    1        2.807   0.845  -1.165  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        2.481   0.567  -2.325  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.975   0.104  -0.482  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        4.962  -0.278  -1.460  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1        5.495  -1.589  -1.260  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        5.667  -1.925   0.228  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        4.402  -1.908   0.983  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        4.049  -2.858   1.090  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        3.383  -1.104   0.276  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1        2.427   2.149   0.955  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        3.687   2.904   1.300  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        2.362   3.578   1.443  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 8