REMARK  Name = BDB005014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.362  -2.850   1.529  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -1.309  -1.530   2.301  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.047  -0.849   2.434  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.025  -0.910   1.423  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.250  -0.250   1.554  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.507   0.471   2.726  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.553   0.544   3.741  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.330  -0.105   3.593  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.262  -0.250   0.570  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        4.101   0.263   0.810  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.241  -0.846  -0.680  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1        2.303  -1.490  -1.152  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.560  -0.610  -1.464  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        5.661  -1.692  -1.330  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1        6.010  -1.435  -2.811  0.00  0.00    +0.250 C 
ATOM     16  F   LIG    1        6.979  -0.511  -3.018  0.00  0.00    -0.206 F 
ATOM     17  F   LIG    1        6.345  -2.524  -3.536  0.00  0.00    -0.206 F 
ATOM     18  C   LIG    1        4.567  -0.919  -2.985  0.00  0.00    +0.088 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  19
ATOM     19  N   LIG    1       -2.366  -0.578   1.916  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -2.355   0.212   2.554  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.430  -0.062   0.608  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -3.438   0.870   0.278  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.427   1.380  -1.036  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -4.412   2.331  -1.376  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -5.382   2.747  -0.443  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.397   2.225   0.840  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -2.500   0.960  -1.925  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -1.613   0.046  -1.517  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -4.433   1.293   1.196  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -1.546  -0.484  -0.300  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -4.508   2.968  -2.728  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -5.384   3.786  -2.992  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -3.594   2.622  -3.678  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -2.895   1.907  -3.489  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -3.676   3.014  -4.604  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6