REMARK  Name = BDB024672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.495  -0.783   0.951  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.210  -0.452   1.415  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.023  -0.423   2.883  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.728   0.791   3.512  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.558  -0.413   3.348  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.707  -1.290   2.453  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.802  -0.736   1.060  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.677  -0.622   0.217  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.630  -0.897   0.507  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.323  -0.531  -0.556  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.479  -0.258  -1.627  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        0.797  -0.130  -1.078  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        2.023   0.352  -1.548  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.141   0.240  -0.707  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.060  -0.324   0.570  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.468  -0.912   1.691  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.832  -0.103  -3.061  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        0.251  -0.725  -3.987  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -2.137  -0.846  -3.465  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -0.992   1.395  -3.386  0.00  0.00    +0.034 C 
ENDBRANCH  11  17
BRANCH   1  22
ATOM     21  C   LIG    1        6.864  -1.416  -0.851  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        5.572  -1.018  -0.392  0.00  0.00    -0.453 OA
ENDBRANCH   1  22
BRANCH  10  23
ATOM     23  C   LIG    1       -2.819  -0.392  -0.528  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.356  -0.197   0.908  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.614   0.671   0.866  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -5.826   0.205   0.335  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.937   1.048   0.256  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.851   2.367   0.699  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.654   2.848   1.221  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.542   2.007   1.304  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -3.544  -1.546   1.606  0.00  0.00    +0.313 C 
ATOM     32  O   LIG    1       -4.615  -2.062   1.895  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -2.379  -2.174   1.900  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -1.577  -1.708   1.557  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 7