REMARK  Name = BDB049550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.944  -0.737  -0.225  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        2.240   0.351  -0.763  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.226   0.970  -0.029  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.899   0.494   1.242  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        1.607  -0.572   1.795  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.621  -1.191   1.061  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.051  -1.395  -1.013  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.466  -1.022  -0.544  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.735   0.435  -0.925  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1        6.079   0.865  -2.015  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1        5.559   1.286   0.109  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1        5.741   2.169  -0.277  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1        6.365  -1.925  -1.201  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.540  -1.057  -0.467  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        7.557  -2.213  -0.474  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1       -0.065   1.081   2.029  0.00  0.00    -0.456 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.286   1.334   1.447  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1       -1.973   0.387   0.686  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.229   0.695   0.152  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.804   1.944   0.386  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.124   2.873   1.179  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -1.870   2.570   1.713  0.00  0.00    +0.050 A 
BRANCH  20  23
ATOM     23  O   LIG    1       -5.024   2.366  -0.066  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -5.644   1.630  -1.124  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.497   0.478  -0.641  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -6.701  -0.634  -1.472  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -7.508  -1.694  -1.055  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.128  -1.651   0.192  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.947  -0.545   1.020  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.141   0.516   0.604  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11