REMARK  Name = BDB008293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.739  -1.774  -0.903  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1        5.935  -0.855  -0.020  0.00  0.00    +0.002 C 
ATOM      3  C   LIG    1        4.490  -0.675  -0.268  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        3.818  -1.487  -1.105  0.00  0.00    +0.008 C 
ATOM      5  C   LIG    1        2.392  -1.430  -1.292  0.00  0.00    +0.001 C 
ATOM      6  C   LIG    1        1.625  -0.420  -0.832  0.00  0.00    -0.053 C 
ATOM      7  C   LIG    1        0.069  -0.415  -1.020  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -0.668   0.103   0.276  0.00  0.00    -0.020 C 
ATOM      9  C   LIG    1       -2.227   0.277  -0.014  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -2.915  -0.971  -0.699  0.00  0.00    -0.029 C 
ATOM     11  C   LIG    1       -1.950  -2.150  -0.949  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -3.535  -0.600  -2.078  0.00  0.00    +0.011 C 
ATOM     13  C   LIG    1       -4.083  -1.495   0.187  0.00  0.00    +0.008 C 
ATOM     14  C   LIG    1       -5.133  -0.421   0.473  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -4.531   0.839   1.137  0.00  0.00    +0.065 C 
ATOM     16  C   LIG    1       -4.945   2.086   0.334  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -2.994   0.750   1.258  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -0.440  -0.865   1.483  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -0.045   1.469   0.687  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        1.451   1.375   0.988  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1       -0.169   0.489  -2.263  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -0.509  -1.829  -1.372  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        2.328   0.785  -0.147  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        2.608   1.900  -1.192  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        3.738   0.400   0.408  0.00  0.00    -0.026 C 
ATOM     26  C   LIG    1        4.326   1.036   1.441  0.00  0.00    +0.059 C 
ATOM     27  C   LIG    1        5.708   0.726   1.855  0.00  0.00    +0.221 C 
ATOM     28  O   LIG    1        6.223   1.252   2.839  0.00  0.00    -0.284 OA
ATOM     29  C   LIG    1        6.508  -0.203   1.009  0.00  0.00    +0.167 C 
ENDROOT
BRANCH  15  30
ATOM     30  C   LIG    1       -5.064   0.934   2.571  0.00  0.00    +0.311 C 
ATOM     31  O   LIG    1       -5.287  -0.002   3.323  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.217   2.192   3.024  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -5.520   2.073   3.949  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  15  30
BRANCH  29  34
ATOM     34  O   LIG    1        7.844  -0.352   1.340  0.00  0.00    -0.503 OA
ATOM     35  H   LIG    1        7.968   0.208   2.136  0.00  0.00    +0.292 HD
ENDBRANCH  29  34
TORSDOF 3