REMARK  Name = BDB062503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.681   1.494   0.951  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.383   1.058   0.620  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.730   1.495   1.343  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -0.549   2.377   2.409  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.726   2.821   2.753  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.833   2.381   2.028  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.276  -0.979  -1.353  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        6.222  -0.325  -1.997  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        5.100   0.128  -1.284  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        5.037  -0.081   0.109  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        3.915   0.372   0.825  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.849   1.029   0.186  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        2.930   1.228  -1.199  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        6.099  -0.740   0.748  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.040   0.785  -1.925  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        7.211  -1.185   0.023  0.00  0.00    +0.046 A 
BRANCH   7  18
ATOM     17  C   LIG    1        9.401  -2.024  -1.569  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.299  -1.362  -2.176  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  12
BRANCH   3  19
ATOM     19  O   LIG    1       -2.031   1.138   1.116  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.280   0.236   0.040  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.770   0.012  -0.047  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -4.329  -1.236   0.253  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -5.709  -1.429   0.172  0.00  0.00    +0.165 A 
ATOM     24  F   LIG    1       -6.181  -2.648   0.469  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1       -6.563  -0.390  -0.205  0.00  0.00    +0.156 A 
ATOM     26  C   LIG    1       -6.005   0.858  -0.499  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -4.623   1.059  -0.421  0.00  0.00    +0.011 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -7.926  -0.440  -0.323  0.00  0.00    -0.478 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -8.555  -1.693  -0.034  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1      -10.056  -1.538  -0.226  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1      -10.864  -2.442  -0.073  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1      -10.424  -0.284  -0.588  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -9.624   0.283  -0.658  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 9