REMARK  Name = BDB058560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.556  -2.922  -1.293  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.106  -1.616  -1.768  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        1.267  -1.303  -1.339  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        1.398  -0.910   0.151  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.439   0.242   0.494  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.997  -0.108   0.085  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -1.042  -0.538  -1.405  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.833  -0.579   0.529  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        3.525   0.493  -0.059  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.852   0.793   0.296  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        5.505   0.001   1.265  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        6.830   0.300   1.620  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        7.504   1.369   1.026  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.861   2.150   0.070  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.814  -1.068   1.853  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        5.544   1.864  -0.293  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.495  -1.354   1.489  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  18
ATOM     18  N   LIG    1       -1.850   1.066   0.333  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.610   1.785  -0.351  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.219   0.926   0.276  0.00  0.00    +0.199 A 
ATOM     21  N   LIG    1       -3.899   0.277   1.314  0.00  0.00    -0.282 N 
ATOM     22  C   LIG    1       -3.224  -0.143   2.528  0.00  0.00    +0.155 C 
ATOM     23  C   LIG    1       -5.277   0.049   1.262  0.00  0.00    +0.279 A 
ATOM     24  O   LIG    1       -5.919  -0.557   2.115  0.00  0.00    -0.265 OA
ATOM     25  C   LIG    1       -5.868   0.603   0.094  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1       -5.156   1.267  -0.857  0.00  0.00    +0.097 A 
ATOM     27  C   LIG    1       -6.027   1.693  -1.870  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.289   1.265  -1.496  0.00  0.00    +0.085 A 
ATOM     29  N   LIG    1       -7.179   0.600  -0.294  0.00  0.00    -0.355 N 
ATOM     30  H   LIG    1       -7.937   0.177   0.228  0.00  0.00    +0.166 HD
ATOM     31  N   LIG    1       -3.782   1.446  -0.787  0.00  0.00    -0.214 NA
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3