REMARK  Name = BDB023120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.381   0.349   2.069  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.118   0.433   2.945  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.259   0.262   0.829  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.347   0.024  -0.205  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.696   0.443   0.911  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.431   0.210  -0.225  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.738   0.434   0.071  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.869   0.814   1.396  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        5.159   1.081   1.870  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        6.256   0.963   1.012  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        6.095   0.586  -0.330  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        5.353   1.445   3.145  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.806   0.303  -0.817  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.554   0.821   1.932  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.219   0.459  -1.177  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.483   1.129  -1.051  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.760   0.695  -2.494  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.239   0.547  -2.611  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.032   0.310   2.268  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.571   1.404   1.494  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.220   0.251   3.704  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -1.401  -4.883   2.176  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -2.147  -3.684   1.669  0.00  0.00    -0.048 A 
ATOM     24  C   LIG    1       -1.824  -2.400   2.124  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -2.499  -1.270   1.625  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.497  -1.426   0.666  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1       -3.829  -2.710   0.220  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.147  -3.828   0.703  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  O   LIG    1       -4.254  -0.381   0.219  0.00  0.00    -0.490 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -3.861   0.022  -1.101  0.00  0.00    +0.232 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.837   1.063  -1.649  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1       -6.281   0.569  -1.747  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -7.112   1.843  -1.877  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -6.246   2.975  -1.323  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -4.989   2.308  -0.778  0.00  0.00    +0.007 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7