REMARK  Name = BDB002516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.844  -0.186  -0.859  0.00  0.00    -0.194 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.083  -0.828  -1.891  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.161  -0.323  -3.193  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.608  -0.888  -4.212  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.459  -1.948  -3.919  0.00  0.00    +0.124 A 
ATOM      6  F   LIG    1       -2.201  -2.488  -4.894  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -1.558  -2.450  -2.627  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.790  -1.886  -1.606  0.00  0.00    +0.027 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  S   LIG    1        0.200   1.242  -0.194  0.00  0.00    +0.075 S 
ATOM     10  O   LIG    1        1.151   1.733   0.786  0.00  0.00    -0.150 OA
ATOM     11  O   LIG    1       -0.266   2.104  -1.259  0.00  0.00    -0.150 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.236   0.677   0.699  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1       -2.478   0.646   0.057  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -3.611   0.219   0.756  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -3.508  -0.158   2.096  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -2.265  -0.097   2.735  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -1.127   0.329   2.046  0.00  0.00    +0.032 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.533  -0.596   2.889  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1       -5.830  -0.630   2.306  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.661  -1.041   0.034  0.00  0.00    +0.227 C 
BRANCH  20  23
ATOM     21  N   LIG    1        3.568   0.399   0.563  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.853   1.073   0.843  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.133  -0.695  -0.156  0.00  0.00    +0.232 C 
ATOM     24  O   LIG    1        3.869  -1.356  -0.886  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.889   0.926   0.341  0.00  0.00    +0.131 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.300   3.205   1.305  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.187   1.878   1.452  0.00  0.00    -0.016 C 
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 8