REMARK  Name = BDB051409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.082   0.193  -1.202  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.422  -1.018  -1.425  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.971  -1.095  -1.371  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.729   0.046  -1.092  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -1.066   1.257  -0.859  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.331   1.331  -0.914  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.443   0.111  -1.278  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.227   1.305  -1.208  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1        4.827   0.130  -2.684  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1        4.504   1.103  -2.022  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1        5.303   2.196  -2.023  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1        6.056   1.914  -2.586  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1        3.548   1.686   0.248  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.465   0.729   0.978  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1        5.801   1.074   1.225  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.650   0.191   1.894  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.173  -1.045   2.324  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.846  -1.398   2.087  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.995  -0.516   1.419  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -3.233  -0.033  -1.011  0.00  0.00    +0.040 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.705  -0.379   0.404  0.00  0.00    +0.040 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.210  -0.455   0.484  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -5.963   0.686   0.792  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -7.356   0.619   0.848  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -8.008  -0.586   0.592  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.268  -1.725   0.280  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.875  -1.660   0.224  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9