REMARK  Name = BDB046509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.638   0.677  -0.882  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1       -0.344   0.666  -0.060  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -0.317   0.199   1.084  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1        0.788   1.122  -0.726  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.665   1.705  -2.019  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.610   1.970  -2.538  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -0.767   2.600  -3.775  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.349   2.950  -4.529  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        1.622   2.674  -4.041  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.780   2.060  -2.793  0.00  0.00    +0.027 A 
ATOM     11  O   LIG    1       -1.776   1.673  -1.887  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.873  -0.710  -1.514  0.00  0.00    +0.095 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.367  -1.032  -1.570  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.763  -1.435  -0.259  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -5.375  -1.413   1.453  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -5.086  -1.341   0.076  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -6.127  -1.206  -0.847  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -7.449  -1.119  -0.408  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -7.741  -1.175   0.952  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.711  -1.329   1.878  0.00  0.00    +0.008 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.281  -1.637   2.478  0.00  0.00    +0.159 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -3.263   0.577   2.260  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -3.158  -0.631   2.408  0.00  0.00    +0.309 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -1.947  -1.218   2.537  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -1.288  -0.527   2.265  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   4  26
ATOM     26  C   LIG    1        2.082   1.000  -0.057  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.754  -0.341  -0.365  0.00  0.00    +0.019 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.168  -0.458   0.213  0.00  0.00    +0.002 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.199  -0.432   1.743  0.00  0.00    +0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.571  -0.784   2.327  0.00  0.00    +0.003 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.660   0.232   1.977  0.00  0.00    +0.033 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.972  -0.098   2.670  0.00  0.00    +0.213 C 
ATOM     33  F   LIG    1        7.802  -0.007   4.016  0.00  0.00    -0.249 F 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 14