REMARK  Name = BDB046719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.266   2.278  -0.227  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.431  -0.191  -1.386  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1        3.692  -0.534  -0.248  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.624   0.264   0.177  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.282   1.415  -0.531  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.021   1.761  -1.664  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.090   0.969  -2.090  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.597  -1.040  -1.834  0.00  0.00    +0.059 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.924  -0.603  -1.204  0.00  0.00    +0.187 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.049  -1.073   0.233  0.00  0.00    +0.225 C 
ATOM     11  O   LIG    1        7.088  -0.299   1.185  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        7.078  -2.421   0.453  0.00  0.00    -0.329 N 
ATOM     13  H   LIG    1        7.521  -3.006  -0.252  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1        7.282  -2.681   1.411  0.00  0.00    +0.145 HD
ENDBRANCH   9  10
BRANCH   9  15
ATOM     15  C   LIG    1        8.050  -1.118  -2.062  0.00  0.00    +0.319 C 
ATOM     16  O   LIG    1        8.602  -2.202  -1.912  0.00  0.00    -0.250 OA
BRANCH  15  18
ATOM     17  C   LIG    1        9.376  -0.654  -3.941  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        8.328  -0.236  -3.064  0.00  0.00    -0.467 OA
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        0.480   1.972   0.925  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.592   3.050   1.077  0.00  0.00    +0.270 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.432   2.798   2.202  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.507   1.970   2.047  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -2.878   1.293   0.886  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -4.017   0.450   0.838  0.00  0.00    -0.035 A 
ATOM     25  C   LIG    1       -4.363  -0.259  -0.481  0.00  0.00    -0.009 C 
ATOM     26  C   LIG    1       -5.786  -0.858  -0.451  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -6.067  -1.595   0.848  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -6.006  -0.653   2.071  0.00  0.00    -0.010 C 
ATOM     29  C   LIG    1       -5.996  -1.563   3.323  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1       -7.273   0.228   2.122  0.00  0.00    +0.016 C 
ATOM     31  C   LIG    1       -4.325   0.712  -1.685  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1       -3.327  -1.378  -0.726  0.00  0.00    +0.016 C 
ATOM     33  C   LIG    1       -4.774   0.261   2.018  0.00  0.00    -0.038 A 
ATOM     34  C   LIG    1       -4.395   0.971   3.176  0.00  0.00    +0.008 A 
ATOM     35  C   LIG    1       -3.280   1.808   3.189  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10