REMARK  Name = BDB048884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.052  -0.576   0.369  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.231   0.544   0.570  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.948   0.549   0.022  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.462  -0.555  -0.723  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.297  -1.657  -0.938  0.00  0.00    +0.080 A 
ATOM      6  N   LIG    1       -2.923  -2.718  -1.658  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.696  -2.678  -2.188  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -0.804  -1.693  -2.050  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.177  -0.637  -1.305  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -4.572  -1.653  -0.385  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1       -0.241   0.400  -1.095  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1        0.746   0.545  -2.185  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1        1.877   1.504  -1.750  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        2.651   1.047  -0.570  0.00  0.00    -0.295 NA
ATOM     15  C   LIG    1        1.874   0.061   0.221  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        0.357   0.355   0.263  0.00  0.00    +0.122 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.958   0.501  -0.970  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.870   0.209   0.205  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        5.275   1.246   1.063  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        6.117   0.983   2.143  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        6.557  -0.315   2.366  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        7.366  -0.569   3.404  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        6.170  -1.356   1.531  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        5.327  -1.096   0.449  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   1  26
ATOM     25  C   LIG    1       -7.160  -1.636   0.754  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.300  -0.521   0.938  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1       -4.767   1.568   1.307  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -3.980   2.738   1.485  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 5