REMARK  Name = BDB021698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.258   1.225   1.383  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.463   0.529   1.253  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.376  -0.697   0.638  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.532  -0.874   0.127  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.518   1.009   1.662  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.397  -1.658   0.478  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -3.107  -2.763  -0.339  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -4.051  -3.785  -0.549  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -5.303  -3.683   0.067  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.583  -2.592   0.881  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.781  -2.514   1.475  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.645  -1.586   1.094  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.733  -4.950  -1.450  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.374  -6.096  -1.092  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.078  -4.712  -2.744  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.405  -5.257  -1.468  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.390  -0.459  -0.019  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        2.022  -0.821   1.356  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.568  -0.489   1.716  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.102   0.778   0.989  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.303   0.698  -0.535  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.256  -0.431  -0.936  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.590  -1.171  -0.493  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        3.308  -2.595  -0.996  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.335  -0.372  -1.589  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.589   1.202  -0.011  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.682   1.078  -1.226  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.350   2.588   1.921  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.261   3.632   0.841  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -2.330   3.858  -0.021  0.00  0.00    +0.115 A 
ATOM     31  N   LIG    1       -2.316   4.766  -1.026  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1       -1.186   5.486  -1.178  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1       -0.067   5.341  -0.375  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -0.107   4.399   0.649  0.00  0.00    +0.008 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8