REMARK  Name = BDB033124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.466  -0.594  -0.714  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.687  -2.099  -0.964  0.00  0.00    +0.094 C 
ATOM      3  N   LIG    1       -2.062  -2.528  -0.767  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -2.782  -2.565  -1.954  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -3.973  -2.796  -2.080  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -1.831  -2.237  -3.078  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -0.466  -2.466  -2.433  0.00  0.00    +0.033 C 
BRANCH   3   8
ATOM      8  C   LIG    1       -2.654  -2.792   0.536  0.00  0.00    +0.143 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.975  -1.538   1.311  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -2.350  -1.276   2.541  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -2.623  -0.096   3.256  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.548   0.817   2.729  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.185   0.557   1.517  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.906  -0.615   0.815  0.00  0.00    +0.005 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -1.959   0.176   4.583  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1       -1.563   1.471   4.729  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -0.840  -0.577   4.785  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -2.779  -0.087   5.638  0.00  0.00    -0.166 F 
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  O   LIG    1        0.353   2.034  -1.235  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.203   1.161  -1.115  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        0.912  -0.182  -0.949  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        1.641  -0.736  -0.505  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        2.647   1.515  -1.116  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        3.643   0.649  -1.585  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        4.984   1.015  -1.516  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        5.342   2.266  -1.006  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.360   3.166  -0.561  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        3.010   2.777  -0.620  0.00  0.00    +0.029 A 
BRANCH  27  29
ATOM     29  C   LIG    1        4.731   4.523  -0.007  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        4.037   5.537  -0.594  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        6.049   4.833  -0.164  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        4.481   4.617   1.329  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        3.375  -0.570  -2.147  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1        2.456  -0.555  -2.476  0.00  0.00    +0.292 HD
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 8