REMARK  Name = BDB052281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.849  -2.936  -0.291  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        1.445  -2.388  -0.366  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1        1.112  -1.107   0.134  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.210  -0.645   0.033  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.202  -1.450  -0.567  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.840  -2.699  -1.049  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -1.988  -3.230  -1.565  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.106  -4.135  -2.005  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.064  -2.437  -1.457  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1       -2.599  -1.336  -0.845  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1        0.461  -3.200  -0.968  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1        2.134  -0.330   0.732  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        3.049  -0.758   0.769  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        2.065   0.974   1.195  0.00  0.00    +0.222 C 
ATOM     15  O   LIG    1        1.073   1.699   1.179  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.358   1.475   1.833  0.00  0.00    +0.131 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.626   1.058   1.123  0.00  0.00    -0.039 A 
ATOM     18  C   LIG    1        5.550   0.211   1.752  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        6.706  -0.193   1.082  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.950   0.247  -0.217  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.042   1.095  -0.848  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.886   1.501  -0.182  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   3  12
BRANCH  10  23
ATOM     23  C   LIG    1       -3.407  -0.196  -0.517  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.716  -0.077  -0.797  0.00  0.00    +0.010 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.539   1.089  -0.449  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -5.053   2.401  -0.523  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.878   3.484  -0.209  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.200   3.268   0.171  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.701   1.969   0.233  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.876   0.886  -0.082  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  10  23
TORSDOF 5