REMARK  Name = BDB064734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730   1.707  -0.460  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -2.000   1.109  -0.657  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -3.116   1.947  -0.856  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.971   3.331  -0.868  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1       -1.727   3.916  -0.690  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.609   3.107  -0.489  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.202  -0.353  -0.653  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.006  -1.109   0.513  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -2.191  -2.489   0.499  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1       -2.582  -3.146  -0.662  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -2.786  -2.409  -1.827  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.598  -1.024  -1.822  0.00  0.00    +0.009 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -1.970  -3.172   1.659  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -2.234  -4.098   1.529  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   2   7
BRANCH   1  16
ATOM     15  C   LIG    1        1.363   1.079   0.713  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        0.478   0.882  -0.277  0.00  0.00    +0.009 C 
BRANCH  15  19
ATOM     17  C   LIG    1        4.881  -0.083   1.323  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.787   0.752   1.099  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        2.514   0.195   0.923  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.353  -1.196   1.001  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        3.460  -2.010   1.230  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.726  -1.463   1.387  0.00  0.00    +0.090 A 
BRANCH  17  23
ATOM     23  O   LIG    1        6.137   0.424   1.488  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1        6.096   1.391   1.410  0.00  0.00    +0.292 HD
ENDBRANCH  17  23
BRANCH  21  25
ATOM     25  O   LIG    1        3.333  -3.366   1.312  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        2.393  -3.593   1.222  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   4  27
ATOM     27  O   LIG    1       -4.039   4.157  -1.056  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -4.842   3.615  -1.137  0.00  0.00    +0.292 HD
ENDBRANCH   4  27
TORSDOF 7