REMARK  Name = BDB063273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.151  -1.256  -0.550  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -0.522  -1.211   0.802  0.00  0.00    +0.071 C 
ATOM      3  C   LIG    1       -1.417  -0.619   1.895  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1        0.884  -0.541   0.846  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1        1.796  -1.095  -0.172  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        1.210  -1.259  -1.516  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.182  -1.921  -1.455  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.122  -0.742  -0.150  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        3.981  -0.322   1.297  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.428  -0.088   0.407  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.175  -0.351  -0.935  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        6.229  -0.227  -1.861  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.502   0.157  -1.421  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.745   0.428  -0.069  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        6.700   0.298   0.865  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1        3.876  -0.719  -1.230  0.00  0.00    -0.225 NA
BRANCH  14  17
ATOM     17  C   LIG    1        9.129   0.819   0.396  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        9.849   1.472  -0.558  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.876  -0.259   0.759  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.112   1.646   1.479  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   5   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.542   0.058  -1.095  0.00  0.00    +0.120 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -4.579   3.826   0.329  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.370   2.369   0.041  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -3.114   1.899  -0.365  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.907   0.540  -0.644  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -3.996  -0.341  -0.556  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -5.264   0.112  -0.167  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -5.440   1.470   0.129  0.00  0.00    +0.007 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.418  -0.853  -0.056  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.758  -1.270   1.362  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -6.317  -0.777   2.389  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.675  -2.272   1.395  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -7.958  -2.583   0.515  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7