REMARK  Name = BDB013861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081   1.848  -0.006  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -0.738   0.862  -0.595  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.031   0.953  -1.966  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.576   2.027  -2.731  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.204   3.016  -2.143  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.535   2.925  -0.792  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.121  -0.282   0.150  0.00  0.00    -0.314 N 
ATOM      8  H   LIG    1       -0.344  -0.944   0.148  0.00  0.00    +0.152 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -2.346  -0.988   0.068  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -2.387  -2.334   0.459  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.591  -3.045   0.457  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.775  -2.409   0.093  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.757  -1.061  -0.255  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.553  -0.352  -0.253  0.00  0.00    +0.023 A 
ENDBRANCH   7   9
ENDBRANCH   2   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.480   1.792   1.455  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.889   1.405   1.620  0.00  0.00    -0.338 N 
ATOM     17  H   LIG    1        2.492   2.006   1.046  0.00  0.00    +0.146 HD
BRANCH  16  19
ATOM     18  C   LIG    1        3.229  -0.351   0.494  0.00  0.00    +0.082 A 
ATOM     19  C   LIG    1        2.204   0.055   1.369  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        1.523  -0.979   2.020  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1        1.720  -2.304   1.815  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1        2.696  -2.643   0.954  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        3.472  -1.717   0.285  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1        4.991   0.230  -1.037  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1        4.101   0.574  -0.279  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.842   1.883  -0.092  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        4.503   2.321  -0.672  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7