REMARK  Name = BDB047573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -0.255   0.036  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.633   0.451  -0.549  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.529   1.171   0.254  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.326   1.190   1.643  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.282   0.465   2.224  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.588  -0.271   1.423  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.428   0.783   0.045  0.00  0.00    +0.104 C 
ATOM      8  N   LIG    1        5.554  -0.255   0.581  0.00  0.00    -0.304 NA
ATOM      9  C   LIG    1        4.200   0.236   0.866  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        3.272   0.492  -0.336  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        2.685  -0.743  -0.869  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1        1.319  -1.039  -0.838  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        0.802  -1.930  -1.510  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.511  -1.622  -1.687  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        5.024  -1.442  -1.614  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        5.590  -1.499  -0.194  0.00  0.00    +0.085 C 
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1       -2.669   1.936  -0.379  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.017   1.681   0.284  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.743   0.409   0.035  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -5.965   0.238   0.682  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -6.712  -0.934   0.503  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -6.230  -1.941  -0.331  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.008  -1.777  -0.982  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.469   1.305   1.562  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1       -7.539   1.199   2.151  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -5.673   2.418   1.678  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1       -6.006   3.165   2.280  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1       -4.265  -0.605  -0.803  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1       -4.476   2.616   1.065  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 3