REMARK  Name = BDB048551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428  -1.270  -0.059  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.401  -0.126  -0.145  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.779  -0.264  -0.332  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.374  -1.534  -0.430  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        1.543  -2.662  -0.334  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.163  -2.534  -0.152  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.695  -2.247   0.745  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -4.302  -2.523   1.085  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.515  -2.940  -0.095  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.703  -1.819  -0.783  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.819  -1.085   0.158  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -2.159  -1.283   1.592  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -3.691  -1.358   1.765  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        3.829  -1.677  -0.621  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        4.355  -2.512  -1.619  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.738  -2.647  -1.795  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        6.631  -1.919  -1.009  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        6.120  -1.134   0.024  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        4.739  -0.996   0.202  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  N   LIG    1        8.009  -2.145  -1.111  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        8.572  -1.381  -0.752  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        8.305  -2.439  -2.036  0.00  0.00    +0.142 HD
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   2  23
ATOM     23  N   LIG    1       -0.264   1.115  -0.055  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1       -1.267   0.993   0.052  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        0.278   2.378  -0.004  0.00  0.00    +0.248 C 
ATOM     26  O   LIG    1        1.469   2.664   0.038  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -0.722   3.483   0.045  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -0.405   4.636   0.777  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1       -1.292   5.713   0.830  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -2.541   5.585   0.217  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -2.861   4.448  -0.530  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -1.947   3.400  -0.628  0.00  0.00    +0.013 A 
BRANCH  29  33
ATOM     33  N   LIG    1       -1.026   6.804   1.666  0.00  0.00    -0.358 N 
ATOM     34  H   LIG    1       -0.035   6.972   1.814  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1       -1.522   7.652   1.408  0.00  0.00    +0.142 HD
ENDBRANCH  29  33
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 6