REMARK  Name = BDB023136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.739  -0.601   1.746  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.369  -1.374   2.283  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.969   0.150   0.854  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.458   0.986   0.108  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.439  -0.199   0.879  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.247   0.350  -0.086  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.511  -0.106   0.120  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.540  -0.953   1.215  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.771  -1.518   1.565  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.915  -1.217   0.820  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.861  -0.346  -0.279  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.864  -2.353   2.610  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.627   0.220  -0.649  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.207  -1.009   1.702  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.026  -0.064  -1.026  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.277   1.096  -1.837  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.751   0.681  -1.823  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.387  -0.122  -0.570  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.347  -0.314   2.054  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.415   1.045   2.543  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.764  -1.415   2.901  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -5.051   0.469   0.023  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.164  -0.524   0.479  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -3.929  -1.681  -0.307  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1       -3.033  -2.820   0.098  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -4.554  -1.781  -1.564  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.427  -0.794  -2.011  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.689   0.314  -1.213  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     29  O   LIG    1       -5.372   1.518   0.839  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -3.966   3.284  -0.127  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -5.364   2.822   0.250  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6