REMARK  Name = BDB030080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.841  -1.922   0.693  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.127  -2.606   1.666  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.276  -2.354   2.645  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.483  -1.867  -0.482  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.006   0.165   0.496  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.828  -0.522   0.157  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.081  -1.217   1.124  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.528  -1.218   2.444  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.835  -1.867   3.395  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.696  -0.542   2.793  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.249  -0.548   4.426  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.434   0.146   1.829  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.326   2.884  -2.012  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.200   2.065  -1.641  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.905   1.601  -0.389  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.743   0.872  -0.541  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.341   0.894  -1.858  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.235   1.617  -2.492  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.294  -2.984   1.322  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.585  -3.944   1.531  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.492  -1.842   1.699  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.604  -2.604   2.225  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.862  -0.791   2.472  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.902  -1.231   0.066  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.964  -0.137   0.111  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -4.141   0.553  -1.245  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -5.505   1.220  -1.097  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.345   0.127  -0.442  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -5.375  -0.635   0.467  0.00  0.00    +0.007 C 
BRANCH  27  30
ATOM     30  N   LIG    1       -6.060   1.680  -2.358  0.00  0.00    -0.327 NA
ATOM     31  H   LIG    1       -5.415   2.336  -2.798  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -6.152   0.900  -3.007  0.00  0.00    +0.118 HD
ENDBRANCH  27  30
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7