REMARK  Name = BDB012347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.835   1.280  -1.085  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.017   1.231  -0.342  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.166   2.349   0.437  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        1.068   3.065   0.205  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.214   2.459  -0.724  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.018   0.202  -0.328  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.875  -0.885  -1.132  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.826  -1.842  -1.090  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.946  -1.768  -0.288  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.095  -0.641   0.515  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.116   0.354   0.517  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.288  -0.558   1.386  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.789  -1.539   1.906  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.790   0.688   1.504  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.394   1.362   0.921  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.503   0.294  -1.928  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.755   0.385  -2.599  0.00  0.00    +0.266 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -4.106  -0.847  -0.137  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1       -4.212   0.235  -1.013  0.00  0.00    +0.127 A 
ATOM     20  F   LIG    1       -5.367   0.911  -1.103  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.139   0.638  -1.805  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -1.914  -0.035  -1.724  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -1.802  -1.128  -0.853  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -2.884  -1.526  -0.061  0.00  0.00    +0.007 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.312  -0.473   2.028  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.270  -1.256   0.725  0.00  0.00    +0.034 C 
ENDBRANCH  18  26
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7