REMARK  Name = BDB064762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418   2.491  -0.729  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.489   1.722   0.016  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.875   1.924  -0.095  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        2.340   2.939  -0.944  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        1.448   3.723  -1.675  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.074   3.500  -1.563  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.465   1.104  -0.556  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -1.871   2.306  -0.622  0.00  0.00    +0.013 C 
BRANCH   7  10
ATOM      9  O   LIG    1       -4.595   2.002  -0.078  0.00  0.00    -0.271 OA
ATOM     10  C   LIG    1       -3.948   1.022  -0.443  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1       -4.531  -0.200  -0.746  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1       -5.965  -0.353  -0.501  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -6.317  -1.790  -0.136  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.904  -2.783  -1.222  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -4.799  -2.248  -2.131  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -3.841  -1.322  -1.388  0.00  0.00    +0.108 C 
ENDBRANCH   7  10
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        2.754   1.083   0.733  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1        3.790   0.393   0.229  0.00  0.00    +0.009 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.683  -0.451   1.035  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        6.054  -0.450   0.743  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        6.921  -1.263   1.472  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        6.445  -2.088   2.482  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1        5.085  -2.099   2.762  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.199  -1.293   2.047  0.00  0.00    +0.053 A 
BRANCH  21  25
ATOM     25  O   LIG    1        8.262  -1.275   1.218  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        8.451  -0.632   0.515  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
BRANCH  23  27
ATOM     27  O   LIG    1        4.646  -2.927   3.754  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1        3.685  -2.822   3.846  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  O   LIG    1        3.684   3.179  -1.047  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1        3.822   3.967  -1.596  0.00  0.00    +0.292 HD
ENDBRANCH   4  29
TORSDOF 7