REMARK  Name = BDB046767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.007  -0.220  -0.143  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.520  -1.063   0.040  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.715   0.886  -0.551  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.303   2.032  -0.673  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.617   0.691   0.280  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.258   0.788  -0.038  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -1.392  -0.301   0.149  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.894  -1.535   0.641  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -3.263  -1.599   0.968  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -4.114  -0.509   0.788  0.00  0.00    +0.012 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.035   3.151  -0.406  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -4.563   1.833   0.097  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1       -5.756   1.684   0.357  0.00  0.00    -0.292 OA
ENDBRANCH   5  12
BRANCH   8  14
ATOM     14  C   LIG    1       -1.017  -2.756   0.869  0.00  0.00    +0.021 C 
ATOM     15  C   LIG    1       -0.366  -3.453  -0.307  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -1.481  -4.128   0.428  0.00  0.00    +0.009 C 
ENDBRANCH   8  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        2.156   0.624  -0.824  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        3.090   1.612  -0.486  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.451   1.400  -0.732  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        4.871   0.202  -1.326  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.939  -0.775  -1.679  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.582  -0.565  -1.433  0.00  0.00    +0.013 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.481   2.409  -0.386  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        6.676   2.302  -0.589  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.964   3.498   0.205  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.739   4.074   0.371  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 6