REMARK  Name = BDB042544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.872  -0.329  -0.220  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -3.716  -1.165   0.992  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.442  -2.022   0.874  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.247  -1.234   0.537  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.013  -1.756   0.911  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.085  -2.754   1.627  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.425  -0.281  -0.573  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.712   0.558  -0.444  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -5.636   1.313   0.500  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1       -5.123   0.298  -0.332  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -5.945  -0.140  -1.384  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -7.207   0.411  -1.589  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1       -7.963  -0.031  -2.603  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.697   1.412  -0.760  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -6.908   1.868   0.292  0.00  0.00    +0.046 A 
BRANCH   9  17
ATOM     16  C   LIG    1       -4.339   2.282   2.487  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1       -4.909   1.819   1.572  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1        1.221  -1.025   0.411  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.509  -1.658   0.943  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.732  -0.909   0.475  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        4.102  -1.074  -0.840  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.570  -1.688  -1.446  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        5.191  -0.475  -1.437  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        5.462  -0.658  -2.618  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.012   0.406  -0.572  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.641   0.569   0.773  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.411   1.395   1.599  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.533   2.047   1.081  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.882   1.871  -0.256  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        8.959   2.502  -0.741  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.133   1.055  -1.093  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.459  -0.126   1.289  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5