REMARK  Name = BDB029689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.497  -0.357  -0.895  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -4.828  -1.698  -0.978  0.00  0.00    +0.252 A 
ATOM      3  O   LIG    1       -5.384  -2.671  -1.477  0.00  0.00    -0.268 OA
ATOM      4  N   LIG    1       -3.558  -1.796  -0.469  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1       -3.125  -2.707  -0.533  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.875  -0.714   0.098  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1       -3.487   0.536   0.166  0.00  0.00    +0.088 A 
ATOM      8  N   LIG    1       -2.902   1.630   0.694  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -1.645   1.464   1.171  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1       -0.947   0.255   1.154  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -1.587  -0.859   0.601  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -4.838   0.687  -0.361  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -7.940  -0.812  -0.524  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -6.884  -0.243  -1.462  0.00  0.00    +0.037 C 
ENDBRANCH   1  14
BRANCH  10  15
ATOM     15  C   LIG    1        0.446   0.162   1.728  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.407   1.043   1.052  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1        1.624   0.637  -0.360  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        3.061   0.864  -0.882  0.00  0.00    +0.122 C 
ATOM     19  N   LIG    1        4.005   0.077  -0.071  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        3.767   0.089   1.383  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        2.688   1.121   1.786  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.321   0.041  -0.530  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        5.655   0.774  -1.608  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1        6.926   0.706  -2.036  0.00  0.00    +0.223 A 
ATOM     25  N   LIG    1        7.904  -0.033  -1.500  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1        7.538  -0.770  -0.442  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1        6.263  -0.772   0.080  0.00  0.00    +0.063 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 4