REMARK  Name = BDB012374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.343  -1.928  -0.033  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.271  -2.041   1.014  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        0.996  -3.137   1.789  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -0.117  -3.652   1.279  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.569  -2.949   0.159  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.393  -1.201   1.354  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.205  -1.615   2.370  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.260  -0.850   2.716  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.566   0.345   2.102  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.731   0.772   1.073  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.632  -0.005   0.690  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.961   2.051   0.362  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        3.255   2.513  -0.515  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.066   2.690   0.783  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.096   3.502   0.235  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.448  -0.980  -0.974  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.613  -0.865  -1.928  0.00  0.00    +0.269 C 
BRANCH  17  23
ATOM     18  C   LIG    1       -5.013   2.338   0.150  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.883   1.526  -0.410  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1       -4.109   0.232  -0.892  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -3.048  -0.527  -1.380  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1       -3.299  -1.761  -1.841  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -1.744  -0.032  -1.390  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -1.517   1.261  -0.899  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -2.576   2.029  -0.407  0.00  0.00    +0.004 A 
ENDBRANCH  17  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6