REMARK  Name = BDB024589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.436  -0.629   0.452  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.438   0.275   0.840  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.901   1.463   1.573  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.134   2.646   0.628  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.965   1.786   2.733  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.558   2.045   2.235  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.111   1.019   1.230  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.734   0.914   0.921  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.313   1.627   1.446  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.400   1.193   0.839  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.089   0.175  -0.049  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.284   0.014  -0.035  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.168  -0.792  -0.749  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.533  -0.681  -0.446  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.029   0.181   0.545  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.637  -0.366   0.489  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.001  -2.807  -0.223  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.979  -1.865   0.104  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.049  -0.576  -0.867  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -1.876  -0.226  -2.350  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.038  -2.104  -0.573  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -3.085  -2.879  -1.389  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.003  -4.387  -1.113  0.00  0.00    +0.081 C 
ATOM     24  N   LIG    1       -2.639  -4.741   0.261  0.00  0.00    -0.316 NA
ATOM     25  H   LIG    1       -1.631  -4.891   0.314  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.009  -3.695   1.205  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -2.244  -2.397   0.934  0.00  0.00    +0.020 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.775   1.742   1.086  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.342   2.533  -0.074  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.600   3.564  -0.672  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.130   4.295  -1.736  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.410   4.014  -2.207  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.165   3.006  -1.611  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.637   2.272  -0.547  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5