REMARK  Name = BDB046765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.533  -0.185  -0.461  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.670   0.300  -1.345  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.495  -0.060   0.509  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        1.460  -0.437   1.673  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.611  -0.663  -1.429  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -0.708  -0.851  -0.368  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -1.074  -1.675   0.696  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -2.321  -2.323   0.695  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.200  -2.147  -0.384  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.842  -1.320  -1.449  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -2.662  -3.206   1.851  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -1.793  -3.527   2.656  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -4.078  -3.695   2.005  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -1.221   0.146  -2.468  0.00  0.00    -0.490 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -1.258   2.537  -2.467  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.086   1.279  -2.639  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        2.706   0.657   0.079  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        3.137   1.828   0.714  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1        4.300   2.458   0.237  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        5.027   1.916  -0.826  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.599   0.739  -1.434  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.440   0.107  -0.985  0.00  0.00    +0.014 A 
BRANCH  18  23
ATOM     23  C   LIG    1        2.409   2.538   1.796  0.00  0.00    +0.338 C 
ATOM     24  O   LIG    1        2.385   3.760   1.831  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.855   1.784   2.760  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        1.872   0.803   2.637  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 7