REMARK  Name = BDB057661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.192  -1.195   1.104  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.486  -1.657   1.355  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.503  -1.484   0.414  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.244  -0.838  -0.799  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -1.943  -0.386  -1.053  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.924  -0.563  -0.109  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.298  -1.437   2.109  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.018  -0.891   1.995  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.944  -1.858   1.261  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.788  -2.614   2.893  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.464  -1.655   1.824  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.320  -1.319   1.134  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.605  -0.326   0.225  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.896  -0.095   0.387  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.481  -0.874   1.353  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.758   0.858  -0.306  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.219   1.678  -1.309  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.019   2.600  -1.990  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.372   2.713  -1.675  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.924   1.906  -0.682  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.122   0.985  -0.002  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.344  -0.638  -1.815  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.146   0.672  -1.701  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -6.019   0.701  -0.521  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -5.684   1.082   0.752  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -6.788   0.917   1.559  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.830   0.411   0.750  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.330   0.281  -0.527  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -4.296   1.918  -1.881  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -4.241   2.918  -1.186  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.573   1.889  -3.028  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -3.117   2.759  -3.028  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10