REMARK  Name = BDB024498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.151   1.094  -0.056  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.221   0.040  -0.100  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.708  -1.325  -0.388  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.159  -2.030   0.898  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.693  -2.139  -1.185  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.387  -2.243  -0.433  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.918  -0.893   0.031  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.550  -0.717   0.348  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.455  -1.653   0.327  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.546  -1.035   0.741  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.290   0.310   0.930  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.067   0.512   0.778  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.921   1.595   0.970  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.281   1.411   0.673  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.809   0.200   0.197  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.907   2.286   0.091  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.264   1.314   1.424  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -3.588   1.380   0.615  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.570   2.913   0.824  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -2.033   2.772   0.938  0.00  0.00    +0.040 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.128   3.798  -0.320  0.00  0.00    +0.308 C 
ATOM     22  O   LIG    1       -3.773   3.842  -1.490  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.133   4.613   0.080  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -5.373   5.098  -0.738  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.430   1.684  -0.179  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.439   0.654  -0.210  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.846  -1.729   1.020  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.775  -1.872  -0.170  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -5.165  -1.822   0.028  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.045  -1.977  -1.045  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.549  -2.201  -2.327  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.174  -2.280  -2.535  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.293  -2.126  -1.463  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 6