REMARK  Name = BDB011663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099  -3.062  -0.178  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.845  -1.902  -0.195  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.380  -1.053  -0.502  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.486  -4.144   0.247  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.126  -1.687   0.232  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.600  -0.279   0.386  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        1.930   0.684   0.041  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.889  -0.324   0.914  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.292  -1.691   0.963  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.023  -2.063   2.181  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        3.179  -2.454   0.560  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.305  -3.941   0.468  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.899   0.695   0.616  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.174   0.821  -0.891  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.240   1.876  -1.179  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        5.881   3.225  -0.561  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.608   3.104   0.935  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.535   2.057   1.226  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -2.122  -0.737   0.552  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.220  -1.853  -0.417  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -3.292  -2.159  -1.236  0.00  0.00    +0.196 A 
ATOM     22  O   LIG    1       -3.009  -3.294  -1.931  0.00  0.00    -0.353 OA
ATOM     23  N   LIG    1       -1.758  -3.754  -1.594  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.261  -2.880  -0.706  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.622  -1.575  -1.526  0.00  0.00    +0.322 C 
ATOM     26  O   LIG    1       -5.084  -0.812  -0.400  0.00  0.00    -0.339 OA
ATOM     27  C   LIG    1       -5.774   0.285  -1.018  0.00  0.00    +0.153 C 
ATOM     28  C   LIG    1       -4.874   0.584  -2.199  0.00  0.00    +0.195 C 
ATOM     29  O   LIG    1       -4.495  -0.714  -2.667  0.00  0.00    -0.342 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -6.068   1.442  -0.034  0.00  0.00    -0.009 C 
ATOM     31  C   LIG    1       -4.794   1.997   0.625  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -6.785   2.585  -0.773  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -6.991   0.922   1.087  0.00  0.00    +0.013 C 
ENDBRANCH  27  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5