REMARK  Name = BDB033761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261  -0.589  -0.641  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.925   0.009  -0.825  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.813  -0.604  -1.633  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -1.578  -1.801  -2.256  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.342  -2.339  -2.009  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.579  -1.757  -1.215  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.577  -2.462  -3.127  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -3.739  -2.754  -2.480  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.919  -1.717  -4.213  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.136  -3.652  -3.630  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.137   0.084   0.204  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.700   0.936   0.523  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        5.093  -0.491   1.540  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.565  -1.369   0.595  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.253  -1.190   0.141  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.460  -0.134   0.605  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.022   0.740   1.554  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.331   0.572   2.019  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.754  -0.725   2.111  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        7.533  -1.284   1.033  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.161   0.456   2.837  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        6.543  -1.921   3.279  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        6.790  -1.536   4.192  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        5.609  -2.327   3.276  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -3.048  -0.022  -1.827  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.183   1.300  -1.306  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -3.565   1.322   0.180  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -4.110   2.732   0.362  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -4.817   3.059  -0.960  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -4.385   1.985  -1.958  0.00  0.00    +0.047 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -4.609   0.389   0.468  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -4.359  -0.451   0.043  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8