REMARK  Name = BDB051414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088   1.863  -0.443  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.021   2.210  -1.219  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.303   1.777  -0.872  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.497   0.986   0.265  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        0.382   0.621   1.029  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.901   1.060   0.679  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.273   2.354  -0.911  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.469   2.218  -0.121  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -5.287   3.792   0.290  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1       -4.194   3.564  -0.209  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -3.503   4.511  -0.893  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1       -2.655   4.129  -1.210  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1       -4.384   1.143  -0.723  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.031  -0.251  -0.263  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -4.544  -0.747   0.945  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.197  -2.023   1.388  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.333  -2.814   0.633  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.818  -2.331  -0.569  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.167  -1.056  -1.017  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        2.878   0.498   0.631  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.183  -0.622  -0.195  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.407  -1.206  -0.024  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.651  -2.300  -0.860  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        5.862  -2.991  -0.793  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.839  -2.591   0.115  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.604  -1.502   0.952  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.390  -0.809   0.884  0.00  0.00    +0.045 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9