REMARK  Name = BDB060906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.243   0.770  -2.144  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1        1.181  -0.238  -1.131  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        2.133  -1.172  -1.503  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1        2.464  -2.313  -0.871  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        1.732  -2.510   0.257  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.726  -1.677   0.761  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        2.679  -0.709  -2.659  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1        3.409  -1.150  -3.203  0.00  0.00    +0.191 HD
ATOM      9  C   LIG    1        0.445  -0.504   0.038  0.00  0.00    +0.023 A 
ATOM     10  N   LIG    1        2.151   0.453  -3.089  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.036   4.356  -2.477  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1       -0.596   3.939  -1.227  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        0.156   2.767  -1.111  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.462   2.005  -2.248  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.018   2.451  -3.502  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -0.734   3.624  -3.619  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -1.764   5.506  -2.542  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -1.980   5.683  -3.473  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -0.008  -2.011   1.991  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -0.114  -1.083   3.041  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -0.814  -1.413   4.195  0.00  0.00    +0.159 A 
ATOM     22  C   LIG    1       -1.420  -2.657   4.333  0.00  0.00    +0.158 A 
ATOM     23  C   LIG    1       -1.333  -3.593   3.313  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -0.629  -3.267   2.147  0.00  0.00    +0.012 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -0.901  -0.496   5.204  0.00  0.00    -0.503 OA
ATOM     26  H   LIG    1       -1.428  -0.942   5.896  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
BRANCH  22  27
ATOM     27  O   LIG    1       -2.092  -2.912   5.496  0.00  0.00    -0.503 OA
ATOM     28  H   LIG    1       -2.462  -3.810   5.442  0.00  0.00    +0.292 HD
ENDBRANCH  22  27
ENDBRANCH   6  19
TORSDOF 5