REMARK  Name = BDB056169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.530  -3.406   0.648  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1       -4.914  -2.228  -0.098  0.00  0.00    +0.256 C 
ATOM      3  C   LIG    1       -6.018  -1.324  -0.674  0.00  0.00    +0.258 C 
ATOM      4  O   LIG    1       -7.132  -1.715  -1.013  0.00  0.00    -0.271 OA
ATOM      5  N   LIG    1       -5.632  -0.026  -0.886  0.00  0.00    -0.280 N 
ATOM      6  H   LIG    1       -6.292   0.582  -1.351  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -4.417   0.459  -0.402  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -3.613  -0.351   0.404  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1       -2.425   0.152   0.929  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -2.016   1.463   0.636  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -2.833   2.266  -0.175  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -4.033   1.768  -0.690  0.00  0.00    +0.027 A 
ATOM     13  O   LIG    1       -3.961  -1.623   0.772  0.00  0.00    -0.478 OA
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -0.724   2.007   1.212  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  N   LIG    1        0.459   1.207   0.847  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1        0.775   1.332  -0.585  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1        1.971   0.457  -0.967  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1        3.197   0.802  -0.113  0.00  0.00    +0.021 C 
ATOM     19  C   LIG    1        2.833   0.737   1.376  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1        1.608   1.602   1.675  0.00  0.00    +0.085 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.396  -0.067  -0.449  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        5.569   0.522  -0.945  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.682  -0.260  -1.260  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.638  -1.641  -1.084  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.481  -2.240  -0.593  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.367  -1.460  -0.278  0.00  0.00    +0.004 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH  10  14
TORSDOF 3