REMARK  Name = BDB060606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.412  -1.748   0.399  0.00  0.00    +0.166 C 
ATOM      2  C   LIG    1        0.760  -2.221   1.255  0.00  0.00    +0.177 C 
ATOM      3  C   LIG    1        1.936  -2.015   0.315  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        1.521  -0.753  -0.453  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1        0.093  -0.590  -0.299  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        2.197   0.441   0.013  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1        3.519   0.712  -0.217  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1        3.741   1.940   0.381  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        5.043   2.459   0.286  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1        5.983   1.725  -0.352  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        5.620   0.540  -0.889  0.00  0.00    +0.225 A 
ATOM     12  N   LIG    1        2.588   2.404   0.983  0.00  0.00    -0.231 NA
ATOM     13  N   LIG    1        4.408  -0.056  -0.869  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        1.682   1.480   0.736  0.00  0.00    +0.203 A 
BRANCH   9  15
ATOM     15  N   LIG    1        5.418   3.679   0.832  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        4.793   4.011   1.559  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.413   3.739   0.999  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1        0.640  -3.575   1.665  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.966  -4.110   0.910  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        2.026  -3.159  -0.557  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        2.835  -3.044  -1.093  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1       -1.647  -1.402   1.259  0.00  0.00    +0.119 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.906  -0.085  -0.464  0.00  0.00    +0.058 C 
ATOM     24  N   LIG    1       -2.920  -1.118   0.580  0.00  0.00    -0.297 NA
ATOM     25  C   LIG    1       -3.536  -2.295  -0.031  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -4.659  -1.715  -0.878  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -4.306  -0.243  -1.065  0.00  0.00    +0.020 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -2.651   1.332   0.069  0.00  0.00    +0.034 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.611   2.366  -1.057  0.00  0.00    +0.079 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.320   3.694  -0.524  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1       -1.412   3.691  -0.060  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -2.243   4.359  -1.292  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9