REMARK  Name = BDB036883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.174  -0.622  -1.765  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1       -0.784   0.419  -2.055  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.806  -1.411  -2.796  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.466   0.061  -0.788  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1        1.498   1.418  -0.538  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        2.459   2.006   0.215  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1        3.452   1.216   0.724  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1        3.478  -0.165   0.498  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.473  -0.750  -0.270  0.00  0.00    +0.032 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.543   1.840   1.589  0.00  0.00    +0.434 C 
ATOM     11  F   LIG    1        5.784   1.345   1.302  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1        4.353   1.593   2.918  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1        4.650   3.193   1.470  0.00  0.00    -0.164 F 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1       -0.528  -1.723  -0.691  0.00  0.00    -0.178 NA
ATOM     15  H   LIG    1       -0.564  -2.635  -1.160  0.00  0.00    +0.149 HD
BRANCH  14  22
ATOM     16  O   LIG    1       -5.091   0.999   0.759  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.079   0.347   0.522  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -3.911  -0.289  -0.682  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.664  -0.183  -1.348  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.941  -1.203  -1.012  0.00  0.00    +0.238 C 
ATOM     21  O   LIG    1       -3.035  -1.899  -2.023  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1       -1.800  -1.377  -0.013  0.00  0.00    +0.163 C 
ATOM     23  C   LIG    1       -1.663  -0.180   0.920  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -3.008   0.116   1.564  0.00  0.00    +0.098 C 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 4