REMARK  Name = BDB048647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.330   0.481  -1.595  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        4.103   0.124  -0.954  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        3.096   0.755  -1.673  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1        1.740   0.660  -1.369  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        1.387  -0.122  -0.263  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1        2.372  -0.773   0.487  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1        3.626   1.467  -2.703  0.00  0.00    -0.463 OA
ATOM      8  C   LIG    1        3.734  -0.659   0.154  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.972   1.301  -2.648  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        6.709   0.056  -1.222  0.00  0.00    +0.159 C 
BRANCH  10  12
ATOM     11  O   LIG    1        6.792   1.813   0.501  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1        7.291   0.873  -0.092  0.00  0.00    +0.309 C 
BRANCH  12  13
ATOM     13  O   LIG    1        8.528   0.446   0.245  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1        8.793   1.051   0.972  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.039  -0.168  -0.024  0.00  0.00    -0.486 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -0.404  -0.931   1.105  0.00  0.00    +0.287 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.889  -0.880   1.255  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1       -2.494  -1.616   2.197  0.00  0.00    -0.079 NA
ATOM     19  O   LIG    1       -3.844  -1.345   2.076  0.00  0.00    -0.354 OA
ATOM     20  C   LIG    1       -4.052  -0.449   1.067  0.00  0.00    +0.168 A 
ATOM     21  C   LIG    1       -2.833  -0.126   0.518  0.00  0.00    +0.079 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.435  -0.058   0.812  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -6.495  -0.582   1.571  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -7.818  -0.202   1.319  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -8.095   0.709   0.304  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -9.720   1.178  -0.007  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -7.061   1.241  -0.461  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -5.739   0.859  -0.207  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 7