REMARK  Name = BDB049882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.376  -1.308  -0.520  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -0.927  -0.880  -0.171  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.062  -1.390  -0.826  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.348  -0.944  -0.470  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.540   0.007   0.542  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.424   0.523   1.216  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.935  -2.375  -1.960  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.566  -3.034  -1.985  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.138   0.081   0.834  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.514  -1.974  -1.825  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.206   0.223  -0.171  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        3.918  -0.297   0.206  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.962  -0.601   1.566  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.869  -1.128   2.260  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.691  -1.350   1.537  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.585  -1.060   0.170  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1        5.224  -0.291   2.009  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1        5.544  -0.422   2.959  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1        2.710  -0.533  -0.490  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        5.981   0.203   0.979  0.00  0.00    +0.096 A 
BRANCH  11  24
ATOM     21  C   LIG    1        7.263   1.948  -2.788  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        6.807   1.353  -1.559  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        7.203   1.681  -0.691  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.614   0.660  -1.509  0.00  0.00    +0.246 C 
ATOM     25  O   LIG    1        4.937   0.444  -2.510  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -4.900   0.413   0.835  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.382   1.699   0.722  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.703   1.639   1.058  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.632   2.740   1.121  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -7.132   0.392   1.334  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -6.029  -0.351   1.202  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.529   1.544   2.320  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -2.798   2.800   1.863  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.487   1.260   3.248  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4