REMARK  Name = BDB054486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.810  -1.733   0.261  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -1.683  -0.328   0.175  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -2.646   0.519   0.723  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -2.219   1.863   0.509  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -0.998   1.835  -0.176  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -0.327   3.034  -0.510  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        0.974   3.168  -1.238  0.00  0.00    +0.068 C 
ATOM      8  N   LIG    1       -0.913   4.215  -0.157  0.00  0.00    -0.258 NA
ATOM      9  C   LIG    1       -2.089   4.229   0.495  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -2.787   3.098   0.855  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.782  -0.040   1.348  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.934  -1.425   1.405  0.00  0.00    +0.004 A 
ATOM     13  N   LIG    1       -0.708   0.490  -0.387  0.00  0.00    -0.336 N 
ATOM     14  C   LIG    1       -2.963  -2.258   0.863  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -0.457  -3.622   0.565  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.850  -2.547  -0.286  0.00  0.00    -0.493 OA
ENDBRANCH   1  16
BRANCH  13  17
ATOM     17  C   LIG    1        0.450  -0.025  -1.106  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.615  -0.351  -0.172  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.814  -0.889  -0.953  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.973  -1.228  -0.018  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.098  -1.752  -0.781  0.00  0.00    -0.330 NA
ATOM     22  H   LIG    1        5.876  -1.942  -0.151  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        5.431  -1.046  -1.437  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 6