REMARK  Name = BDB058193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.295  -0.105  -0.174  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        0.661  -1.015  -0.926  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.616  -0.743  -1.187  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -1.470  -1.567  -1.962  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1       -2.831  -1.028  -1.759  0.00  0.00    +0.079 C 
ATOM      6  C   LIG    1       -2.691   0.366  -1.103  0.00  0.00    +0.064 C 
ATOM      7  C   LIG    1       -3.708  -2.006  -0.955  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -2.930  -2.723   0.143  0.00  0.00    +0.003 C 
ATOM      9  C   LIG    1       -1.712  -3.476  -0.405  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -1.258  -2.999  -1.789  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -1.258   0.380  -0.716  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.543   1.275   0.040  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.749   1.029   0.316  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.453  -0.545   0.533  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        4.945   0.661   0.263  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        3.605   0.740   0.058  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1        2.715  -0.334   0.104  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.276  -1.587   0.411  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        4.667  -1.681   0.609  0.00  0.00    +0.056 A 
BRANCH  18  20
ATOM     20  C   LIG    1        2.438  -2.831   0.557  0.00  0.00    +0.418 C 
ATOM     21  F   LIG    1        3.103  -3.824   1.226  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        2.074  -3.392  -0.626  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        1.300  -2.641   1.280  0.00  0.00    -0.166 F 
ENDBRANCH  18  20
BRANCH  14  24
ATOM     24  N   LIG    1        6.829  -0.619   0.707  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        7.188   0.331   0.645  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        7.079  -1.058   1.585  0.00  0.00    +0.144 HD
ENDBRANCH  14  24
ENDBRANCH   1  17
BRANCH  12  27
ATOM     27  N   LIG    1       -1.167   2.435   0.542  0.00  0.00    -0.310 N 
ATOM     28  C   LIG    1       -0.498   2.960   1.756  0.00  0.00    +0.134 C 
ATOM     29  C   LIG    1       -1.261   4.196   2.258  0.00  0.00    +0.178 C 
ATOM     30  O   LIG    1       -1.320   5.218   1.248  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -1.968   4.717   0.068  0.00  0.00    +0.178 C 
ATOM     32  C   LIG    1       -1.240   3.486  -0.501  0.00  0.00    +0.134 C 
ENDBRANCH  12  27
TORSDOF 4