REMARK  Name = BDB046723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.846   0.346   0.695  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -3.576   1.443  -0.129  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.289   1.648  -0.630  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.250   0.766  -0.321  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.514  -0.326   0.504  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.803  -0.534   1.009  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.239   0.107   1.232  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.962  -1.051   0.536  0.00  0.00    +0.210 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -7.145  -1.448   1.372  0.00  0.00    +0.321 C 
ATOM     10  O   LIG    1       -7.056  -2.175   2.356  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -9.444  -1.184   1.744  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -8.296  -0.851   0.961  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -6.344  -0.794  -0.900  0.00  0.00    +0.321 C 
ATOM     14  O   LIG    1       -6.490  -1.694  -1.721  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.562   0.523  -1.162  0.00  0.00    -0.467 OA
ATOM     16  C   LIG    1       -6.950   0.796  -2.509  0.00  0.00    +0.280 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.047   1.094  -0.879  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.065   0.224  -0.673  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.814   0.578   0.611  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.923  -0.295   0.820  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.128   0.026   0.260  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.161  -0.866   0.567  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        6.451  -0.665   0.068  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1        7.573  -1.628   0.347  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1        8.876  -0.886   0.649  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        9.161   0.319  -0.261  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        8.098   0.588  -1.328  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1        6.712   0.435  -0.763  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        5.679   1.318  -1.084  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        4.394   1.117  -0.568  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11