REMARK  Name = BDB048160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.099   0.567  -0.066  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.929   1.279   0.236  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.686   0.653   0.132  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.594  -0.700  -0.278  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.768  -1.400  -0.577  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        3.012  -0.773  -0.472  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -0.694  -1.290  -0.358  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.911  -2.289   0.718  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.201  -3.098   0.453  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.222  -3.830  -0.832  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -2.056  -5.269  -0.645  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.218  -3.305  -1.781  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.056  -1.770  -1.719  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1       -0.549   1.283   0.393  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -1.322   0.638   0.248  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -0.781   2.558   0.850  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        0.062   3.377   1.191  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.220   2.941   0.963  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -3.199   2.418   0.109  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -4.529   2.832   0.269  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -4.888   3.760   1.240  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -6.150   4.188   1.375  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -3.913   4.292   2.078  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.582   3.886   1.939  0.00  0.00    +0.016 A 
BRANCH  20  25
ATOM     25  N   LIG    1       -5.548   2.288  -0.605  0.00  0.00    +0.059 N 
ATOM     26  O   LIG    1       -6.624   1.948  -0.096  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -5.250   2.158  -1.800  0.00  0.00    -0.126 OA
ENDBRANCH  20  25
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  28
ATOM     28  C   LIG    1        4.406   1.273   0.057  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        4.519   2.439   0.395  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.428   0.435  -0.255  0.00  0.00    -0.461 OA
BRANCH  30  32
ATOM     31  C   LIG    1        7.281   0.882   1.238  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        6.744   1.002  -0.176  0.00  0.00    +0.229 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 7