REMARK  Name = BDB003741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.779   1.243   0.022  0.00  0.00    -0.296 OA
ATOM      2  C   LIG    1        0.336   0.140  -0.304  0.00  0.00    +0.154 C 
ATOM      3  C   LIG    1        1.276  -1.053  -0.525  0.00  0.00    +0.076 C 
ATOM      4  C   LIG    1        1.448  -1.835   0.790  0.00  0.00    +0.180 C 
ATOM      5  O   LIG    1        2.636  -1.431   1.466  0.00  0.00    -0.346 OA
ATOM      6  C   LIG    1        3.803  -1.751   0.702  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1        3.624  -1.568  -0.707  0.00  0.00    -0.346 OA
ATOM      8  C   LIG    1        2.661  -0.547  -0.968  0.00  0.00    +0.180 C 
ATOM      9  C   LIG    1        0.684  -1.946  -1.631  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -0.716  -2.473  -1.329  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -1.542  -1.555  -0.432  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -1.172  -0.062  -0.522  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1       -1.543   0.552  -1.877  0.00  0.00    +0.180 C 
ATOM     14  O   LIG    1       -2.934   0.859  -1.884  0.00  0.00    -0.346 OA
ATOM     15  C   LIG    1       -3.226   1.937  -0.988  0.00  0.00    +0.282 C 
ATOM     16  O   LIG    1       -2.334   1.987   0.131  0.00  0.00    -0.346 OA
ATOM     17  C   LIG    1       -1.959   0.685   0.576  0.00  0.00    +0.180 C 
ENDROOT
BRANCH   6  18
ATOM     18  C   LIG    1        5.008  -0.952   1.162  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        6.292  -1.329   0.730  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        7.420  -0.609   1.129  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        7.272   0.496   1.957  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        6.014   0.897   2.392  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.886   0.174   1.993  0.00  0.00    +0.012 A 
BRANCH  21  24
ATOM     24  O   LIG    1        8.399   1.173   2.321  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        8.137   1.923   2.881  0.00  0.00    +0.292 HD
ENDBRANCH  21  24
ENDBRANCH   6  18
BRANCH  15  26
ATOM     26  C   LIG    1       -4.673   1.883  -0.521  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.085   2.644   0.588  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.414   2.627   1.016  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -7.346   1.859   0.332  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1       -6.972   1.107  -0.776  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -5.641   1.125  -1.202  0.00  0.00    +0.012 A 
BRANCH  29  32
ATOM     32  O   LIG    1       -8.633   1.871   0.782  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1       -9.167   1.302   0.204  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  15  26
TORSDOF 4