REMARK  Name = BDB017023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850  -0.963   0.840  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.455  -2.285   0.786  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.804  -2.288   1.164  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -1.237  -1.029   1.467  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1       -0.192  -0.172   1.277  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.383  -0.885  -0.331  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.116  -1.378  -0.035  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.183  -0.496   0.488  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        2.459   0.819   0.706  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        3.689   1.268   0.379  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.684   0.462  -0.137  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.168  -2.575  -1.800  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.393  -1.807  -0.885  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.578  -1.715  -0.246  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.557  -1.190   0.577  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -2.556  -0.678   1.953  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.614  -0.571   0.853  0.00  0.00    +0.059 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.391   0.592  -0.081  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -2.842   0.388  -1.351  0.00  0.00    +0.127 A 
ATOM     20  F   LIG    1       -2.538  -0.854  -1.754  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -2.603   1.450  -2.216  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.915   2.748  -1.816  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.466   2.972  -0.554  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.703   1.901   0.311  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6