REMARK  Name = BDB033500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.165  -1.311  -1.061  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.809  -0.537  -0.085  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.858   0.335  -0.397  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -2.299   0.946   0.823  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.489   0.443   1.828  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1       -2.259   0.453  -1.745  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.600  -0.288  -2.731  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.597  -0.432   1.271  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1        0.164  -0.881   1.767  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -0.565  -1.154  -2.391  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.404   1.937   0.957  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1       -3.165   3.063   0.236  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -4.590   1.437   0.526  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -3.589   2.331   2.245  0.00  0.00    -0.166 F 
ENDBRANCH   4  11
BRANCH   1  15
ATOM     15  N   LIG    1        0.897  -2.213  -0.752  0.00  0.00    -0.212 N 
ATOM     16  H   LIG    1        0.828  -2.667   0.157  0.00  0.00    +0.174 HD
BRANCH  15  18
ATOM     17  O   LIG    1        3.362  -2.764  -0.734  0.00  0.00    -0.148 OA
ATOM     18  S   LIG    1        2.485  -1.638  -0.987  0.00  0.00    +0.096 S 
ATOM     19  O   LIG    1        2.557  -0.879  -2.217  0.00  0.00    -0.148 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.835  -0.507   0.351  0.00  0.00    +0.236 A 
ATOM     21  S   LIG    1        4.069   0.651   0.123  0.00  0.00    -0.055 S 
ATOM     22  C   LIG    1        3.806   1.214   1.722  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        2.809   0.472   2.320  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1        2.245  -0.522   1.539  0.00  0.00    -0.229 NA
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4