REMARK  Name = BDB048499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.974   1.507  -0.171  0.00  0.00    -0.014 C 
ATOM      2  C   LIG    1       -1.704   0.527   0.294  0.00  0.00    -0.006 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.913   0.865   1.097  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.724   1.968   0.779  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -4.861   2.264   1.538  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.197   1.459   2.622  0.00  0.00    +0.018 A 
ATOM      7 BR   LIG    1       -6.741   1.855   3.639  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -4.406   0.364   2.958  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.268   0.071   2.200  0.00  0.00    +0.009 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1       -1.280  -0.863  -0.034  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -2.234  -1.799  -0.467  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.860  -3.111  -0.772  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -0.528  -3.499  -0.647  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1       -0.034  -5.277  -1.057  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        0.433  -2.587  -0.222  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        0.059  -1.273   0.081  0.00  0.00    +0.009 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     17  C   LIG    1       -0.062   2.615  -0.728  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  S   LIG    1        1.046   3.736  -1.344  0.00  0.00    -0.110 S 
BRANCH  18  24
ATOM     19  C   LIG    1        3.962   0.899  -4.699  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        3.640   1.212  -3.208  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.271   0.560  -2.140  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.972   0.955  -0.825  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.012   1.937  -0.581  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        2.341   2.544  -1.647  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.675   2.195  -2.959  0.00  0.00    +0.022 A 
BRANCH  21  26
ATOM     26  O   LIG    1        5.196  -0.428  -2.406  0.00  0.00    -0.465 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.095  -1.451  -1.552  0.00  0.00    +0.319 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.889  -2.564  -0.488  0.00  0.00    +0.408 C 
ATOM     29  O   LIG    1        4.019  -2.301   0.396  0.00  0.00    -0.241 OA
ATOM     30  O   LIG    1        5.603  -3.600  -0.601  0.00  0.00    -0.241 OA
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8