REMARK  Name = BDB011130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.976   0.029  -1.847  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.471   0.173  -0.811  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -4.391  -0.033   0.580  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -3.126  -0.241   1.163  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -1.957  -0.233   0.396  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.026  -0.017  -0.974  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.277   0.182  -1.563  0.00  0.00    +0.049 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -6.144  -0.802  -2.432  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -5.770   0.388  -1.556  0.00  0.00    +0.032 C 
ENDBRANCH   2   9
BRANCH   3  10
ATOM     10  C   LIG    1       -5.598  -0.059   1.493  0.00  0.00    +0.046 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.285  -1.421   1.501  0.00  0.00    +0.125 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.444  -1.433   2.456  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -7.796  -0.541   3.207  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -8.112  -2.603   2.422  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -8.830  -2.490   3.080  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        0.351  -0.124  -1.337  0.00  0.00    +0.235 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.903   1.212  -0.844  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.224   1.065  -0.187  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1        2.579   1.272   1.129  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1        1.863   1.697   2.344  0.00  0.00    +0.088 C 
ATOM     21  O   LIG    1        3.913   1.008   1.250  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        4.307   0.649  -0.013  0.00  0.00    +0.228 A 
ATOM     23  N   LIG    1        3.330   0.666  -0.902  0.00  0.00    -0.214 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.715   0.304  -0.195  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        6.631   0.335   0.866  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        7.974  -0.000   0.662  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.427  -0.380  -0.606  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        9.872  -0.719  -0.818  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        7.520  -0.405  -1.670  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.178  -0.069  -1.464  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10