REMARK  Name = BDB001721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.777   0.227   3.241  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        3.010  -0.905   2.451  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        1.946  -1.710   2.037  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.633  -1.399   2.409  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        0.401  -0.264   3.196  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.464   0.541   3.610  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.922   1.121   3.659  0.00  0.00    +0.056 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.089   2.340   2.739  0.00  0.00    +0.154 C 
BRANCH   8  13
ATOM      9  C   LIG    1        4.626   1.439  -2.269  0.00  0.00    +0.089 C 
ATOM     10  C   LIG    1        4.699   1.622  -0.809  0.00  0.00    +0.134 A 
ATOM     11  O   LIG    1        5.866   1.262  -0.213  0.00  0.00    -0.360 OA
ATOM     12  N   LIG    1        5.776   1.484   1.150  0.00  0.00    -0.082 NA
ATOM     13  C   LIG    1        4.547   1.984   1.357  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1        3.828   2.088   0.143  0.00  0.00    +0.071 A 
ENDBRANCH   8  13
BRANCH   8  15
ATOM     15  C   LIG    1        5.005   3.336   3.430  0.00  0.00    +0.314 C 
ATOM     16  O   LIG    1        4.582   4.172   4.222  0.00  0.00    -0.250 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.329   3.215   3.183  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        6.542   2.529   2.507  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -0.519  -2.252   1.941  0.00  0.00    +0.035 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.098  -1.737   0.623  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.257  -2.614   0.148  0.00  0.00    +0.059 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.877  -2.086  -1.095  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -2.550  -2.316  -2.415  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -1.534  -3.118  -3.116  0.00  0.00    +0.088 C 
ATOM     25  O   LIG    1       -3.410  -1.592  -3.192  0.00  0.00    -0.440 OA
ATOM     26  C   LIG    1       -4.225  -0.950  -2.295  0.00  0.00    +0.228 A 
ATOM     27  N   LIG    1       -3.942  -1.216  -1.032  0.00  0.00    -0.214 NA
BRANCH  26  28
ATOM     28  C   LIG    1       -5.262  -0.082  -2.845  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -5.429   0.093  -4.228  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -6.431   0.932  -4.726  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.278   1.606  -3.849  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.126   1.442  -2.473  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.125   0.604  -1.976  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 10