REMARK  Name = BDB045921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.552   0.158   0.593  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.425  -0.554   0.163  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.308   0.103  -0.390  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.316   1.508  -0.495  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.451   2.215  -0.074  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.555   1.547   0.466  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.832  -0.778  -0.811  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.794  -0.223  -1.620  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.755   0.779  -1.771  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.874  -1.949  -0.441  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.013  -0.913  -1.964  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.152  -0.447  -1.093  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.302  -0.957   0.203  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.340  -0.515   1.026  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.242   0.457   0.573  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.092   0.967  -0.726  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        5.053   0.525  -1.548  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.377   0.923   1.451  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        7.106   0.820   2.783  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.710   2.228   1.243  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.519   0.210   1.246  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1        0.791   2.123  -1.027  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        0.945   3.518  -0.779  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -3.746  -0.571   1.168  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.625  -1.226   0.090  0.00  0.00    +0.102 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.517  -1.784   1.761  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.589  -2.281   0.661  0.00  0.00    +0.011 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -5.395  -0.231  -0.750  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1       -5.699  -0.381  -1.924  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.822   0.858  -0.085  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -6.330   1.353  -0.763  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10