REMARK  Name = BDB051380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.275   1.413   1.032  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.617   0.361   1.682  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.219   0.287   1.693  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.459   1.268   1.059  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.110   2.325   0.422  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.505   2.402   0.410  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.785   1.488   1.020  0.00  0.00    +0.049 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.405   1.330  -0.383  0.00  0.00    +0.102 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.874   1.717  -0.343  0.00  0.00    +0.308 C 
ATOM     10  O   LIG    1       -7.547   1.812   0.671  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -7.388   1.984  -1.567  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -6.750   1.895  -2.300  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -5.182  -0.045  -1.048  0.00  0.00    +0.015 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.484  -1.307  -0.227  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.872  -1.712  -1.032  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.942  -1.549   0.160  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        0.905   1.315   0.992  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.625   0.254   1.618  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.118   0.484   1.419  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.503   0.516  -0.058  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.917   0.661  -0.197  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.700  -0.457  -0.325  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        7.043  -0.226  -0.699  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1        7.519   1.184  -0.952  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        7.911  -1.326  -0.896  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        9.339  -1.143  -1.333  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.440  -2.625  -0.659  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.126  -2.841  -0.257  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.258  -1.762  -0.094  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 13