REMARK  Name = BDB062630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.484   0.898  -0.433  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -1.022   2.127   0.180  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.441   0.704  -1.866  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -3.800  -0.570  -0.176  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -3.169   0.650   0.072  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -3.860   1.694   0.701  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -5.197   1.519   1.097  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -5.813   0.278   0.869  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -5.119  -0.761   0.242  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.943   2.631   1.798  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1       -5.540   3.871   1.411  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -7.287   2.589   1.576  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -5.785   2.585   3.148  0.00  0.00    -0.166 F 
ENDBRANCH   7  10
BRANCH   4  15
ATOM     14  C   LIG    1       -3.632  -1.957  -2.018  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.101  -1.606  -0.737  0.00  0.00    -0.493 OA
ENDBRANCH   4  15
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  N   LIG    1       -0.699  -0.411   0.325  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -1.201  -1.269   0.079  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.706  -0.495   0.066  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        1.583   0.392   0.690  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.935   0.302   0.390  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        4.039   1.140   0.946  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1        5.263   0.593   0.200  0.00  0.00    +0.118 C 
ATOM     23  N   LIG    1        4.811  -0.527  -0.643  0.00  0.00    -0.271 N 
ATOM     24  C   LIG    1        5.619  -1.312  -1.447  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1        5.232  -2.249  -2.144  0.00  0.00    -0.276 OA
ATOM     26  C   LIG    1        7.087  -0.957  -1.427  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        3.416  -0.646  -0.513  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        2.549  -1.525  -1.142  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        1.182  -1.442  -0.853  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5