REMARK  Name = BDB024590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.495  -0.129   1.423  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.265   0.463   1.772  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.373   1.546   2.768  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.998   2.805   2.143  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.051   1.865   3.460  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.989   2.182   2.429  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.872   1.041   1.459  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.634   0.798   0.820  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.537   1.496   0.924  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.415   0.894   0.140  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.844  -0.214  -0.463  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.476  -0.281  -0.032  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.516  -1.177  -0.275  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.748  -0.918   0.346  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.976   0.197   1.170  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.519   0.010   2.091  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.766  -1.347  -0.131  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.497  -0.810   0.244  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.428  -1.212  -1.367  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -2.379  -0.663  -2.433  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.936  -2.468  -0.599  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -2.194  -3.646  -1.560  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -2.589  -4.862  -0.847  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -1.839  -5.143  -0.214  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.809  -4.645  -0.068  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1       -3.633  -3.518   0.946  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -3.181  -2.225   0.269  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.826   1.385  -0.005  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.052   2.378  -1.128  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.268   2.366  -1.832  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.512   3.289  -2.852  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.552   4.247  -3.170  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.353   4.288  -2.464  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.108   3.366  -1.444  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5