REMARK  Name = BDB002996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.572   2.844  -2.440  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.565   2.047  -2.661  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.137   2.006  -3.941  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.602   2.763  -4.985  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.508   3.572  -4.759  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.088   3.616  -3.491  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.173   1.243  -1.642  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -1.619   0.423  -0.741  0.00  0.00    +0.078 C 
ATOM      9  C   LIG    1       -1.835   0.769   0.681  0.00  0.00    +0.198 C 
ATOM     10  O   LIG    1       -1.983   1.867   1.177  0.00  0.00    -0.286 OA
ATOM     11  C   LIG    1       -1.849  -0.522   1.384  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -1.684  -1.571   0.478  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -1.592  -2.884   0.898  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.665  -3.125   2.272  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.841  -2.068   3.187  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.941  -0.746   2.745  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.566  -1.049  -0.889  0.00  0.00    +0.198 C 
ATOM     18  O   LIG    1       -1.470  -1.690  -1.916  0.00  0.00    -0.286 OA
ENDBRANCH   2   7
BRANCH   1  19
ATOM     19  O   LIG    1        1.218   3.018  -1.238  0.00  0.00    -0.471 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.522   1.889  -0.602  0.00  0.00    +0.231 C 
BRANCH  20  24
ATOM     21  C   LIG    1        1.955  -1.692   1.633  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        1.809  -0.452   2.276  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        1.710   0.731   1.540  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        1.764   0.692   0.146  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        1.949  -0.524  -0.510  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.043  -1.707   0.230  0.00  0.00    +0.015 A 
BRANCH  21  28
ATOM     27  O   LIG    1        2.030  -4.069   1.773  0.00  0.00    -0.241 OA
ATOM     28  C   LIG    1        1.975  -2.983   2.431  0.00  0.00    +0.387 C 
ATOM     29  O   LIG    1        1.914  -2.883   3.697  0.00  0.00    -0.241 OA
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5