REMARK  Name = BDB024580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.339  -2.598  -0.690  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.920  -1.432  -0.025  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.945  -0.493   0.478  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.350   0.511  -0.608  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        5.515   0.178   1.778  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        4.224   0.940   1.583  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        3.186   0.089   0.909  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.823   0.453   1.027  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        1.278   1.516   1.702  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.025   1.448   1.512  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.349   0.335   0.754  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.831  -0.296   0.413  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.134  -1.419  -0.352  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.486  -1.770  -0.479  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.528  -1.051   0.132  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.629  -3.515  -1.089  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.693  -0.069   0.351  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.089  -1.473   0.855  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.041  -2.202  -0.098  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -4.061  -1.221  -0.673  0.00  0.00    -0.004 C 
ATOM     21  C   LIG    1       -5.298  -1.889  -1.352  0.00  0.00    +0.092 C 
ATOM     22  N   LIG    1       -6.148  -0.870  -0.694  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -7.357  -1.479  -0.151  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -5.121  -0.708   0.357  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1       -3.400  -0.123  -1.531  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -1.932   0.102  -1.154  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.183  -3.804  -1.527  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.698  -2.638  -0.858  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.008   2.452   2.043  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.651   3.308   0.972  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -3.047   3.437   0.907  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.641   4.219  -0.084  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.849   4.892  -1.012  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.461   4.788  -0.947  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.865   4.005   0.042  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 4