REMARK  Name = BDB049891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.367  -0.802  -0.751  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.956  -0.409  -0.408  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.087  -1.006  -0.994  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.379  -0.584  -0.633  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.583   0.458   0.282  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.471   1.109   0.833  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.951  -2.135  -1.980  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.560  -2.165  -2.586  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.179   0.661   0.478  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.471  -2.085  -1.471  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.274   0.031   0.066  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        3.877  -0.216   0.307  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.688  -0.294   1.684  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        2.443  -0.527   2.244  0.00  0.00    +0.139 A 
ATOM     15  N   LIG    1        1.373  -0.686   1.433  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        1.509  -0.624   0.087  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1        4.910  -0.096   2.275  0.00  0.00    -0.359 N 
ATOM     18  H   LIG    1        5.072  -0.091   3.273  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1        2.748  -0.381  -0.514  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        5.871   0.104   1.317  0.00  0.00    +0.096 A 
BRANCH  11  24
ATOM     21  C   LIG    1        8.053   0.359  -2.437  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        7.290   0.312  -1.217  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        7.779   0.133  -0.353  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.917   0.183  -1.243  0.00  0.00    +0.246 C 
ATOM     25  O   LIG    1        5.279   0.177  -2.292  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -4.950   0.817   0.603  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.500   0.778   1.865  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.803   1.158   1.722  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.783   1.304   2.770  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -7.158   1.393   0.445  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -6.025   1.190  -0.234  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.584   2.264   1.795  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -3.485   3.214   1.417  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -2.941   1.879   3.054  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4