REMARK  Name = BDB048335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.699  -0.076  -1.429  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.266  -0.828  -2.451  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.160  -1.123  -3.401  0.00  0.00    +0.225 A 
ATOM      4  N   LIG    1       -2.446  -0.755  -3.420  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -2.873  -0.039  -2.371  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.017   0.340  -1.356  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.169   0.307  -0.375  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1        0.061   1.299  -0.193  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9  C   LIG    1        3.617   0.254   1.060  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        2.318   0.658   0.700  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.478  -0.142  -0.095  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        1.945  -1.404  -0.467  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.224  -1.828  -0.104  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.056  -1.002   0.655  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     15  O   LIG    1        6.013   2.067   3.054  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.666   1.207   2.248  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1        4.356   1.156   1.847  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1        3.850   1.954   2.212  0.00  0.00    +0.155 HD
BRANCH  16  19
ATOM     19  C   LIG    1        6.681   0.276   1.700  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        8.037   0.823   1.298  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        7.092   0.337   0.245  0.00  0.00    +0.013 C 
ENDBRANCH  16  19
ENDBRANCH   9  17
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   5  22
ATOM     22  N   LIG    1       -4.217   0.346  -2.405  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1       -4.621   0.006  -3.274  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -5.176   0.488  -1.386  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -5.005   0.000  -0.085  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -5.985   0.196   0.907  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1       -7.159   0.885   0.577  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -7.345   1.375  -0.713  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.359   1.178  -1.682  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -5.778  -0.364   2.291  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -6.054  -1.695   2.360  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -6.558   0.230   3.237  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.495  -0.224   2.729  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 7