REMARK  Name = BDB023142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.445   0.139   1.862  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.460   1.150   1.812  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.352  -0.587   1.376  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.417  -1.779   1.115  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.832   0.230   1.187  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.893  -0.328   0.517  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.876   0.608   0.446  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.471   1.776   1.068  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.370   2.849   1.082  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.626   2.715   0.483  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.017   1.516  -0.131  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.034   4.010   1.662  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.119   0.433  -0.163  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.158   1.529   1.547  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.286   1.405  -0.742  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.029   0.199  -0.983  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.246   1.098  -1.222  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.472   2.150  -0.421  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.990  -0.474   1.924  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.971  -1.537   2.903  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.861   0.668   2.121  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.044  -0.213  -0.808  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.312  -1.096   0.270  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -3.860  -2.388   0.039  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -4.135  -2.745  -1.292  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.867  -1.881  -2.352  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.321  -0.625  -2.114  0.00  0.00    +0.048 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -2.496   1.010  -0.513  0.00  0.00    -0.490 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -2.398   1.979  -1.558  0.00  0.00    +0.229 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -2.770   3.881   0.078  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -1.847   3.277  -0.971  0.00  0.00    +0.038 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  22  28
BRANCH  24  32
ATOM     32  C   LIG    1       -4.165  -3.354   1.172  0.00  0.00    +0.037 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -4.785  -4.727   0.861  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -3.771  -5.738   0.340  0.00  0.00    +0.004 C 
ENDBRANCH  32  33
ENDBRANCH  24  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9