REMARK  Name = BDB012845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.989  -0.116  -0.993  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.328   0.316   0.316  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.090   0.407  -0.003  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.990   0.785   0.983  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.599   1.050   2.119  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.383  -0.312  -1.237  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.088  -1.038  -1.582  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.857  -4.070  -1.152  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.724  -2.603  -0.870  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.502  -2.047  -1.048  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.352  -0.726  -0.795  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.410   0.069  -0.363  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.665  -0.512  -0.181  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -4.824  -1.873  -0.441  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.784   0.289   0.274  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -5.905   1.218   1.346  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1       -4.886   1.609   2.353  0.00  0.00    +0.068 C 
ATOM     18  N   LIG    1       -7.129   1.761   1.392  0.00  0.00    -0.179 NA
ATOM     19  N   LIG    1       -7.783   1.182   0.375  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -8.749   1.446   0.215  0.00  0.00    +0.188 HD
ATOM     21  C   LIG    1       -7.025   0.291  -0.324  0.00  0.00    +0.113 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        3.386   0.855   0.633  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        3.901   1.303  -0.549  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        3.393   1.664  -1.348  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        5.240   1.262  -0.621  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.615   0.845   0.595  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.493   0.596   1.418  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        7.066   0.694   0.956  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        7.761  -0.356   0.087  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        7.810   2.029   0.888  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4