REMARK  Name = BDB056487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.252   1.327   0.508  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        1.052   1.597  -0.324  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.238   1.761   0.509  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -0.418   0.694   1.505  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -1.632   0.141   1.894  0.00  0.00    +0.253 C 
ATOM      6  O   LIG    1       -1.686  -0.737   2.758  0.00  0.00    -0.272 OA
ATOM      7  C   LIG    1        0.798   0.241   2.194  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        1.999   1.167   1.951  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        5.515  -0.566  -1.478  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.779   0.427  -2.117  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        3.709   1.034  -1.452  0.00  0.00    +0.145 A 
ATOM     12  F   LIG    1        3.057   1.998  -2.124  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        3.319   0.691  -0.137  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        4.084  -0.312   0.477  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.160  -0.933  -0.178  0.00  0.00    +0.013 A 
BRANCH   9  17
ATOM     16  C   LIG    1        7.066  -0.849  -3.525  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        6.667  -1.254  -2.130  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1        7.272  -2.136  -1.525  0.00  0.00    -0.292 OA
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1       -2.897   0.675   1.205  0.00  0.00    +0.324 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.111   0.158   1.761  0.00  0.00    -0.482 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.667  -0.780   0.928  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1       -5.614  -0.441  -0.050  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -6.116  -1.452  -0.885  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -5.707  -2.777  -0.722  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.795  -3.108   0.279  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.279  -2.112   1.107  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -6.125   0.941  -0.269  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -6.659   1.270  -1.322  0.00  0.00    -0.270 OA
ATOM     29  N   LIG    1       -6.008   1.832   0.758  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1       -6.474   2.723   0.661  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -5.705   1.533   1.679  0.00  0.00    +0.145 HD
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6