REMARK  Name = BDB056246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.813   1.665  -2.041  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.020   0.248  -1.501  0.00  0.00    +0.098 C 
BRANCH   2   4
ATOM      3  N   LIG    1        3.894  -1.037   0.389  0.00  0.00    -0.183 N 
ATOM      4  C   LIG    1        3.829   0.194  -0.214  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        4.414   1.174   0.250  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  O   LIG    1        3.359  -2.165  -0.259  0.00  0.00    -0.292 OA
ATOM      7  H   LIG    1        4.142  -2.748  -0.389  0.00  0.00    +0.242 HD
ENDBRANCH   3   6
BRANCH   3   8
ATOM      8  C   LIG    1        4.646  -1.332   1.604  0.00  0.00    +0.151 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.157  -1.353   1.384  0.00  0.00    +0.142 C 
BRANCH   9  11
ATOM     10  O   LIG    1        5.813  -3.296  -0.022  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1        6.577  -2.503   0.509  0.00  0.00    +0.306 C 
BRANCH  11  12
ATOM     12  O   LIG    1        7.917  -2.576   0.350  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        8.414  -1.865   0.800  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        1.895   2.556  -1.195  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.456   2.040  -1.102  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.441   3.036  -0.362  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.914   2.619  -0.327  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.169   1.353   0.497  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.668   1.043   0.583  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.005  -0.135   1.526  0.00  0.00    -0.011 C 
ATOM     21  C   LIG    1       -5.536  -0.322   1.631  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -6.076  -1.544   0.882  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.331  -1.795  -0.421  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.832  -2.009  -0.200  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.329  -1.456   1.133  0.00  0.00    +0.003 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 14