REMARK  Name = BDB046770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.973   0.456   0.127  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.387  -0.208   0.623  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.382   1.548  -0.472  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.954   2.498  -0.991  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.691  -1.014   0.949  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1        2.351   0.151   0.224  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1        3.356   0.931  -0.358  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.699   0.565  -0.224  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.028  -0.593   0.491  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.030  -1.381   1.073  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        5.807   1.367  -0.826  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1        6.968   0.978  -0.714  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1        5.477   2.639  -1.561  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1        1.624  -1.708   1.468  0.00  0.00    -0.490 OA
BRANCH  14  16
ATOM     15  C   LIG    1        1.985  -4.104   1.550  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        1.873  -2.811   2.339  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1       -1.108   1.553  -0.439  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.849   0.369  -0.570  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -3.254   0.388  -0.541  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.898   1.628  -0.386  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -3.164   2.818  -0.273  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1       -1.767   2.778  -0.305  0.00  0.00    +0.028 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.029  -0.856  -0.674  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -4.996  -1.211   0.274  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.697  -2.396   0.110  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -5.505  -3.244  -0.921  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -4.575  -2.889  -1.830  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -3.824  -1.727  -1.751  0.00  0.00    +0.028 A 
ENDBRANCH  19  23
BRANCH  21  29
ATOM     29  C   LIG    1       -3.825   4.136  -0.116  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -3.261   5.207   0.003  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.167   4.048  -0.111  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -5.462   4.978  -0.010  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   3  17
TORSDOF 8