REMARK  Name = BDB047068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.388   1.206   0.619  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.718   1.087   1.073  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        2.643   2.120   0.872  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.270   3.264   0.171  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.967   3.370  -0.319  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        0.024   2.362  -0.085  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1  17
ATOM      7  C   LIG    1       -2.262  -1.981   3.368  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -1.837  -1.272   2.135  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -2.244  -1.421   0.824  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -3.232  -2.338   0.267  0.00  0.00    +0.246 C 
ATOM     11  N   LIG    1       -3.449  -2.181  -1.090  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1       -4.225  -2.734  -1.429  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -3.073  -0.965  -1.801  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.664  -0.458  -1.442  0.00  0.00    +0.057 C 
ATOM     15  O   LIG    1       -3.829  -3.194   0.911  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -1.485  -0.499   0.038  0.00  0.00    -0.008 A 
ATOM     17  C   LIG    1       -0.628   0.186   0.882  0.00  0.00    +0.054 A 
ATOM     18  N   LIG    1       -0.874  -0.292   2.155  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1       -0.372   0.008   2.982  0.00  0.00    +0.166 HD
ENDBRANCH   1  17
BRANCH   5  20
ATOM     20  S   LIG    1        0.483   4.838  -1.198  0.00  0.00    -0.006 S 
ATOM     21  O   LIG    1       -0.966   4.903  -1.181  0.00  0.00    -0.170 OA
ATOM     22  O   LIG    1        1.286   5.931  -0.688  0.00  0.00    -0.170 OA
ATOM     23  C   LIG    1        0.996   4.501  -2.862  0.00  0.00    +0.200 C 
ENDBRANCH   5  20
BRANCH   2  24
ATOM     24  O   LIG    1        2.171   0.004   1.797  0.00  0.00    -0.452 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.215  -1.214   1.151  0.00  0.00    +0.164 A 
ATOM     26  C   LIG    1        1.934  -2.344   1.927  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1        1.625  -2.206   3.225  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        1.952  -3.617   1.372  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1        2.274  -3.756   0.029  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1        2.301  -4.976  -0.521  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        2.580  -2.647  -0.758  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        2.557  -1.369  -0.196  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 4