REMARK  Name = BDB048034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.643  -1.319   0.410  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.617  -0.711   0.157  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1        0.492   0.672   0.248  0.00  0.00    -0.180 N 
ATOM      4  H   LIG    1       -0.357   1.147  -0.047  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.588  -1.329  -0.334  0.00  0.00    +0.107 A 
ATOM      6  N   LIG    1       -1.785  -1.448   0.352  0.00  0.00    -0.332 N 
ATOM      7  C   LIG    1       -2.720  -2.111  -0.429  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -2.088  -2.444  -1.629  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.811  -3.141  -2.618  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.146  -3.482  -2.383  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.760  -3.142  -1.182  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.061  -2.454  -0.185  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -0.755  -1.969  -1.549  0.00  0.00    +0.041 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -2.003  -1.035   1.741  0.00  0.00    +0.157 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.270   0.445   1.870  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.540   1.202   2.800  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.756   2.575   2.926  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.716   3.206   2.139  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.467   2.463   1.231  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.250   1.091   1.101  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   2   5
BRANCH   3  21
ATOM     21  S   LIG    1        1.641   1.679   0.880  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1        2.012   1.205   2.195  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        1.142   3.026   0.695  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.018   1.479  -0.224  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1        4.082   0.641   0.133  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        5.180   0.497  -0.728  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        5.198   1.221  -1.933  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.141   2.070  -2.274  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.050   2.204  -1.418  0.00  0.00    +0.029 A 
BRANCH  26  30
ATOM     30  C   LIG    1        6.339  -0.405  -0.375  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        6.624  -1.297  -1.365  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.489   0.295  -0.162  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.138  -1.145   0.750  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  21  24
ENDBRANCH   3  21
TORSDOF 6