REMARK  Name = BDB048654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.004  -0.239   0.826  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.949  -0.479  -0.062  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.173  -1.650   0.028  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.450  -2.587   1.038  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.504  -2.347   1.925  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.275  -1.186   1.817  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.366  -3.686   1.081  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        0.040  -4.710   2.012  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -2.838   1.016   0.713  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.779   1.020  -0.504  0.00  0.00    +0.102 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.810  -0.082  -0.399  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -5.070  -0.901  -1.266  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.507  -0.076   0.753  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -6.135  -0.821   0.639  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  C   LIG    1       -4.469   2.388  -0.647  0.00  0.00    +0.015 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.871   3.908  -2.092  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.246   2.527  -1.960  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1        0.968  -1.838  -0.941  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.156  -1.160  -0.471  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        2.189  -0.914   0.507  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        3.231  -0.948  -1.303  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        3.227  -1.242  -2.494  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.429  -0.298  -0.700  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.734  -0.388   0.664  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.872   0.248   1.174  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.719   0.985   0.332  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.421   1.052  -1.038  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.288   0.414  -1.549  0.00  0.00    +0.013 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.954   1.665   0.875  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.896   1.892   2.217  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.181   2.881   0.303  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        9.083   0.934   0.667  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 11