REMARK  Name = BDB023596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.637  -0.264  -0.525  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.476  -0.069   0.245  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.757  -0.604  -0.153  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.982  -0.459   0.711  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.266  -0.470  -0.135  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        4.516  -0.482   0.749  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        4.748   0.950   1.100  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        4.056   1.803   0.100  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        3.247  -1.657  -1.089  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        2.054  -1.910  -1.716  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        2.080  -2.603  -2.454  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        4.247  -2.310  -1.378  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.469   0.835  -0.919  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        0.832  -1.355  -1.327  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.305  -1.579  -2.096  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.528  -1.030  -1.699  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -6.525  -0.864   0.480  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -5.324   0.029   0.365  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -4.082  -0.500  -0.024  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -2.931   0.306  -0.107  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -3.067   1.662   0.228  0.00  0.00    +0.131 A 
ATOM     22  F   LIG    1       -2.008   2.485   0.165  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.289   2.200   0.629  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -5.415   1.384   0.702  0.00  0.00    +0.006 A 
ENDBRANCH   1  20
BRANCH   7  25
ATOM     25  C   LIG    1        5.732   1.377   1.901  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        6.582   1.748   2.593  0.00  0.00    -0.174 NA
ENDBRANCH   7  25
TORSDOF 2