REMARK  Name = BDB016052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.654  -1.601  -0.508  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.772  -0.604  -0.091  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -0.436  -0.786  -0.112  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.046  -1.973  -0.526  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -0.726  -2.998  -0.922  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -2.057  -2.784  -0.904  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -7.849  -1.525  -1.339  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -6.458  -1.373  -0.843  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -5.142  -2.098  -1.673  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -4.104  -1.426  -0.474  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -4.749  -0.727   0.443  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -6.110  -0.699   0.231  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        1.512  -2.153  -0.541  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.385  -1.071  -0.300  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.782  -1.218  -0.307  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.320  -2.484  -0.565  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.483  -3.572  -0.810  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.096  -3.406  -0.798  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        4.662  -0.085  -0.063  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.324   1.055   0.640  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        5.431   1.855   0.635  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        5.562   3.159   1.238  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        6.478   1.316  -0.013  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        6.008   0.140  -0.438  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -2.263   0.673   0.272  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.101   0.544   0.850  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.268   1.554   0.911  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.910   2.924   1.164  0.00  0.00    +0.235 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.881   3.847   1.816  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -0.462   3.330   2.998  0.00  0.00    -0.168 F 
ATOM     31  F   LIG    1        0.217   4.016   1.046  0.00  0.00    -0.168 F 
ATOM     32  F   LIG    1       -1.396   5.068   2.081  0.00  0.00    -0.168 F 
ENDBRANCH  28  29
BRANCH  28  33
ATOM     33  O   LIG    1       -2.427   3.435  -0.083  0.00  0.00    -0.381 OA
ATOM     34  H   LIG    1       -2.752   2.650  -0.569  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 8