REMARK  Name = BDB048776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320   0.799  -1.501  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.976  -0.414  -0.837  0.00  0.00    +0.096 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -1.412   0.759   2.198  0.00  0.00    +0.067 C 
ATOM      4  C   LIG    1       -2.419   0.444   1.159  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.232  -0.047  -0.119  0.00  0.00    +0.044 A 
ATOM      6  N   LIG    1       -3.503  -0.138  -0.648  0.00  0.00    -0.330 N 
ATOM      7  C   LIG    1       -3.833  -0.510  -2.005  0.00  0.00    +0.150 C 
ATOM      8  C   LIG    1       -4.403   0.240   0.330  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1       -3.752   0.640   1.407  0.00  0.00    -0.232 NA
BRANCH   8  10
ATOM     10  C   LIG    1       -5.862   0.245   0.197  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -6.580   1.398   0.540  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.971   1.430   0.423  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -8.659   0.304  -0.026  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.957  -0.857  -0.349  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.565  -0.888  -0.233  0.00  0.00    +0.011 A 
ENDBRANCH   8  10
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.837   0.408  -2.242  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.041   0.348  -1.595  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.258   0.568  -0.232  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.552   0.465   0.259  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.008   0.628   1.675  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.520   0.814   1.482  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.913   0.044   0.198  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.623   0.130  -0.575  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        4.424  -0.095  -1.925  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        3.125   0.019  -2.429  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.307  -1.411   0.463  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.669  -1.511   1.092  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        8.455  -0.607   1.310  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.982  -2.782   1.412  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        8.880  -2.719   1.800  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8