REMARK  Name = BDB049875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.523  -2.575   0.207  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.474  -1.563   0.057  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.734  -1.658   0.680  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.682  -0.628   0.537  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.426   0.496  -0.258  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.212   0.577  -0.953  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.095  -2.836   1.545  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.214  -4.026   1.217  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.263  -0.453  -0.786  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.236  -3.579   1.247  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.563   0.134   0.148  0.00  0.00    +0.100 A 
ATOM     12  C   LIG    1        3.748  -0.972  -0.009  0.00  0.00    +0.170 A 
ATOM     13  N   LIG    1        4.550  -1.979  -0.541  0.00  0.00    -0.221 N 
ATOM     14  C   LIG    1        4.001  -3.210  -0.864  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1        2.699  -3.442  -0.659  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        1.878  -2.325  -0.050  0.00  0.00    +0.129 A 
ATOM     17  N   LIG    1        5.836  -1.582  -0.684  0.00  0.00    -0.173 NA
ATOM     18  N   LIG    1        2.417  -1.162   0.251  0.00  0.00    -0.212 NA
ATOM     19  C   LIG    1        5.832  -0.311  -0.274  0.00  0.00    +0.150 A 
BRANCH  11  23
ATOM     20  C   LIG    1        2.338   2.860   1.413  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        2.869   1.632   0.889  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        2.264   0.817   0.810  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        4.208   1.454   0.630  0.00  0.00    +0.249 C 
ATOM     24  O   LIG    1        5.049   2.334   0.785  0.00  0.00    -0.270 OA
ENDBRANCH  11  23
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  C   LIG    1       -3.448   1.518  -0.347  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.277   2.835   0.022  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -4.479   3.446  -0.190  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -4.802   4.833   0.043  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -5.427   2.615  -0.661  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -4.801   1.438  -0.742  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1       -0.876   1.737  -1.858  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        0.121   1.451  -2.746  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -0.440   2.827  -1.165  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 4