REMARK  Name = BDB055745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.916   1.561   0.158  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.485   1.788   0.151  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.995   3.086   0.177  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.106   4.168   0.199  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        1.281   3.962   0.195  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.786   2.661   0.174  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.123  -2.760  -0.487  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        3.894  -1.437   0.087  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        3.568  -0.433  -0.949  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.063  -0.139  -1.141  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        1.381   0.222   0.131  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        2.133  -0.150   1.355  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        2.855  -1.498   1.139  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1       -1.281   0.623   0.124  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -0.710  -0.218   0.096  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -2.650   0.522   0.033  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1       -3.438   1.451  -0.099  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.187  -0.870   0.057  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -4.382  -1.127  -0.629  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -4.909  -2.414  -0.627  0.00  0.00    +0.118 A 
ATOM     21  C   LIG    1       -4.271  -3.446   0.052  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -3.092  -3.191   0.752  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -2.550  -1.903   0.760  0.00  0.00    +0.013 A 
BRANCH  20  24
ATOM     24  O   LIG    1       -6.066  -2.709  -1.286  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -6.427  -1.889  -1.663  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  26
ATOM     26  N   LIG    1       -0.628   5.540   0.225  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1       -1.846   5.697   0.386  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        0.186   6.465   0.088  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 5