REMARK  Name = BDB051313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.668  -0.913  -1.454  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -3.780  -0.137  -0.953  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -4.201   0.677  -2.012  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -5.273   1.569  -1.927  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -5.965   1.636  -0.722  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -5.586   0.843   0.363  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -6.393   0.954   1.616  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -7.427   1.609   1.670  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -5.926   0.289   2.722  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -6.429   0.504   3.575  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -4.568  -0.188   2.786  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.178  -0.902   1.499  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -3.393   0.413  -3.092  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -3.489   0.852  -3.997  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -4.482  -0.051   0.285  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -2.475  -0.543  -2.772  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.850  -1.953  -0.745  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.697  -1.365   0.074  0.00  0.00    +0.109 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.572  -0.466  -0.234  0.00  0.00    +0.213 C 
ATOM     20  N   LIG    1        0.319  -0.733  -0.750  0.00  0.00    -0.315 N 
ATOM     21  H   LIG    1       -0.009  -0.136  -1.500  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.935  -0.846   0.872  0.00  0.00    -0.276 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.424   0.365  -1.180  0.00  0.00    +0.099 C 
BRANCH  23  28
ATOM     24  C   LIG    1        7.301   0.764   1.276  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        6.169  -0.126   1.041  0.00  0.00    -0.305 NA
ATOM     26  C   LIG    1        6.114  -0.565  -0.359  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1        4.689  -0.787  -0.872  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        3.904   0.531  -0.802  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        4.136   1.268   0.531  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        4.908   0.424   1.549  0.00  0.00    +0.084 C 
ENDBRANCH  23  28
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5