REMARK  Name = BDB049094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.165  -0.214   1.257  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -4.062   1.080   1.972  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -2.692   1.746   1.639  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -2.189   0.889   0.453  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -2.799  -0.479   0.773  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.693   0.769   0.232  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.189   0.847  -1.073  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.182   0.716  -1.329  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.099   0.485  -0.298  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.584   0.413   1.006  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        0.215   0.544   1.271  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        3.485   0.333  -0.502  0.00  0.00    -0.330 N 
ATOM     13  C   LIG    1        3.962  -1.018  -0.148  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1        5.490  -1.034  -0.075  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        6.104  -0.531  -1.391  0.00  0.00    +0.059 C 
ATOM     16  C   LIG    1        5.558   0.873  -1.705  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        4.032   0.847  -1.768  0.00  0.00    +0.106 C 
BRANCH  15  18
ATOM     18  N   LIG    1        7.583  -0.547  -1.463  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1        8.106  -1.902  -1.644  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        8.255   0.103  -0.340  0.00  0.00    +0.104 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  21
ATOM     21  N   LIG    1       -2.824   3.208   1.410  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -3.197   3.906   2.647  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -1.600   3.808   0.875  0.00  0.00    +0.104 C 
ENDBRANCH   3  21
BRANCH   1  24
ATOM     24  C   LIG    1       -5.138  -0.102   0.149  0.00  0.00    +0.122 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -6.498  -2.483   1.439  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -6.023  -2.514   0.013  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -5.381  -1.406  -0.583  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.944  -1.522  -1.912  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -4.324  -0.491  -2.505  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.118  -2.694  -2.642  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -5.740  -3.787  -2.051  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -6.187  -3.697  -0.731  0.00  0.00    +0.004 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6