REMARK  Name = BDB024561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.496  -0.915  -0.143  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.628   0.038   0.423  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.254   1.345   0.695  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.520   2.108  -0.614  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.468   2.197   1.687  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.043   2.370   1.208  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.420   1.022   0.985  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.022   0.870   1.133  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.080   1.819   1.444  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.080   1.190   1.496  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.918  -0.145   1.179  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        0.428  -0.375   0.991  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.176  -1.520   0.732  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.560  -1.358   0.567  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.204  -0.110   0.634  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.721  -0.798  -0.129  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.774  -2.871  -1.414  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.884  -1.949  -0.783  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.958  -1.157   1.123  0.00  0.00    +0.128 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.632  -1.307  -0.253  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -1.708  -1.959  -1.295  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -2.378  -2.153  -2.584  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1       -2.644  -1.240  -2.957  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.577  -2.979  -2.448  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -4.573  -2.368  -1.467  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -3.924  -2.127  -0.108  0.00  0.00    +0.008 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.375   1.841   1.886  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.335   2.065   0.740  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -2.918   2.717  -0.431  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.810   2.924  -1.485  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.130   2.494  -1.375  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.563   1.864  -0.210  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.673   1.656   0.845  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5