REMARK  Name = BDB024671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.787  -0.816  -1.191  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.489  -0.488  -0.764  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.431   0.877  -0.498  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.570   1.571  -0.037  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.537   3.038   0.279  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1        2.811   3.643  -0.268  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        4.042   2.999   0.386  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1        5.254   3.269  -0.521  0.00  0.00    +0.028 C 
ATOM      9  N   LIG    1        3.913   1.554   0.677  0.00  0.00    -0.234 N 
ATOM     10  C   LIG    1        4.856   1.007   1.566  0.00  0.00    +0.407 C 
ATOM     11  O   LIG    1        5.815   1.640   2.014  0.00  0.00    -0.226 OA
ATOM     12  C   LIG    1        2.766   0.854   0.175  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        2.800  -0.512  -0.121  0.00  0.00    +0.026 A 
ATOM     14  N   LIG    1       -0.823   1.366  -0.738  0.00  0.00    -0.232 NA
ATOM     15  C   LIG    1        1.674  -1.207  -0.584  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.558   0.337  -1.107  0.00  0.00    +0.112 A 
ENDROOT
BRANCH  10  17
ATOM     17  O   LIG    1        4.593  -0.273   1.944  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        5.514  -0.839   2.878  0.00  0.00    +0.282 C 
ENDBRANCH  10  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.275  -2.119  -1.648  0.00  0.00    +0.088 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -0.060  -2.084  -3.902  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -0.374  -2.883  -2.643  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -1.776  -3.001  -0.484  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -0.711  -3.537   0.457  0.00  0.00    +0.006 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH  16  24
ATOM     24  C   LIG    1       -3.030   0.438  -1.393  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.779   1.218  -0.292  0.00  0.00    +0.135 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.905   0.401   0.988  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -3.035   0.657   2.058  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.099  -0.102   3.225  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.030  -1.132   3.336  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.898  -1.403   2.280  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.835  -0.644   1.112  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -5.122   1.718  -0.789  0.00  0.00    +0.313 C 
ATOM     33  O   LIG    1       -5.708   2.721  -0.405  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.715   0.920  -1.703  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -6.567   1.378  -1.875  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH  16  24
TORSDOF 9