REMARK  Name = BDB048806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.285  -2.102   1.286  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        1.962  -1.696   1.034  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.632  -0.324   1.030  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        2.644   0.601   1.270  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        2.073   1.848   1.203  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        2.573   2.714   1.344  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        0.729   1.761   0.926  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.969   0.229   1.518  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.419   0.411   0.811  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        4.272  -1.136   1.518  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.104   2.950   0.792  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -1.164   3.176   1.681  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -1.962   4.313   1.550  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.698   5.222   0.532  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -2.465   6.312   0.406  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -0.651   5.015  -0.358  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        0.149   3.878  -0.228  0.00  0.00    +0.013 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     18  C   LIG    1        3.639  -3.571   1.284  0.00  0.00    +0.155 C 
BRANCH  18  20
ATOM     19  O   LIG    1        3.832  -3.580  -1.170  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1        3.928  -4.131  -0.087  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.328  -5.421  -0.024  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1        4.477  -5.662  -0.963  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   9  23
ATOM     23  C   LIG    1       -0.919  -0.181   0.482  0.00  0.00    +0.042 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.181  -0.202  -1.027  0.00  0.00    +0.040 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.543  -0.766  -1.349  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -2.698  -2.131  -1.631  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.962  -2.653  -1.910  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -5.068  -1.811  -1.902  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -6.281  -2.313  -2.169  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.935  -0.457  -1.620  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -3.673   0.067  -1.341  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 7