REMARK  Name = BDB065214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.393   0.907   0.337  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.842   0.270  -0.773  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.546   0.251  -0.957  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.406   0.862  -0.034  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        0.844   1.498   1.080  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.541   1.516   1.262  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.863   0.840  -0.234  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        3.689  -0.202   0.281  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        5.086  -0.151   0.042  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        5.921  -1.166   0.538  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.399  -2.233   1.269  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.035  -2.298   1.513  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.632   0.914  -0.691  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.821   1.928  -1.190  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.191  -1.297   1.026  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.449   1.891  -0.963  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -2.719   1.001   0.649  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.700   0.540  -0.286  0.00  0.00    +0.284 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.542  -1.267   1.333  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -3.996  -0.962  -0.066  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -4.927  -1.530  -1.138  0.00  0.00    +0.011 C 
ENDBRANCH  18  20
BRANCH  18  22
ATOM     22  C   LIG    1       -4.963   1.392  -0.143  0.00  0.00    +0.346 C 
ATOM     23  O   LIG    1       -5.786   1.593  -1.025  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.161   1.916   1.084  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -5.992   2.426   1.001  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6