REMARK  Name = BDB064735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.808  -1.454  -0.642  0.00  0.00    -0.007 A 
ATOM      2  C   LIG    1       -0.618  -1.597  -1.400  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.505  -2.644  -2.330  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.543  -3.558  -2.504  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.703  -3.425  -1.757  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1       -2.844  -2.390  -0.836  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.360   1.700   2.198  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1       -2.297   0.383   2.638  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.126  -0.644   1.706  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.014  -0.365   0.332  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -2.095   0.974  -0.083  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.262   2.003   0.847  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1       -2.514   2.734   3.073  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -2.643   2.370   3.964  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        0.530  -0.681  -1.296  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        1.187  -0.470  -0.146  0.00  0.00    +0.009 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.271   0.507  -0.037  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.132   1.573   0.861  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        3.153   2.513   0.979  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.317   2.405   0.227  0.00  0.00    +0.090 A 
ATOM     21  C   LIG    1        4.451   1.341  -0.659  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.440   0.393  -0.797  0.00  0.00    +0.053 A 
BRANCH  19  23
ATOM     23  O   LIG    1        3.045   3.571   1.834  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1        2.163   3.547   2.243  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
BRANCH  21  25
ATOM     25  O   LIG    1        5.573   1.189  -1.421  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        6.184   1.917  -1.216  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  16  17
ENDBRANCH   2  15
BRANCH   5  27
ATOM     27  O   LIG    1       -3.697  -4.336  -1.961  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -4.453  -4.106  -1.395  0.00  0.00    +0.292 HD
ENDBRANCH   5  27
TORSDOF 7