REMARK  Name = BDB023280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.158  -1.071  -0.534  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1       -0.612  -0.057  -0.018  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1       -1.905  -0.473  -0.019  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -1.994  -1.758  -0.526  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -3.263  -2.344  -0.589  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1       -4.384  -1.630  -0.152  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.269  -0.322   0.341  0.00  0.00    +0.037 A 
ATOM      8  F   LIG    1       -3.414  -3.590  -1.059  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.997   0.271   0.427  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.667  -2.138  -0.860  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        2.301  -1.979  -1.026  0.00  0.00    -0.179 N 
ATOM     12  H   LIG    1        1.869  -2.886  -1.139  0.00  0.00    +0.177 HD
ATOM     13  C   LIG    1        1.587  -0.844  -0.630  0.00  0.00    +0.298 C 
ATOM     14  O   LIG    1        2.130   0.218  -0.364  0.00  0.00    -0.265 OA
BRANCH  11  15
ATOM     15  S   LIG    1        3.931  -2.003  -1.343  0.00  0.00    +0.078 S 
ATOM     16  O   LIG    1        4.230  -3.410  -1.540  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        4.195  -1.059  -2.403  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1        5.308  -0.310   0.405  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        4.667  -1.540   0.207  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1        4.597  -2.489   1.245  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        5.147  -2.207   2.491  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.773  -0.984   2.702  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.856  -0.045   1.667  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1        5.376   0.549  -0.649  0.00  0.00    -0.490 OA
BRANCH  24  26
ATOM     25  C   LIG    1        4.666   2.752   0.104  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1        5.788   1.900  -0.463  0.00  0.00    +0.226 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  15  19
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  N   LIG    1       -5.409   0.385   0.784  0.00  0.00    -0.318 N 
ATOM     28  C   LIG    1       -5.643   1.818   0.705  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1       -7.109   1.484   1.054  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.789   0.080   0.531  0.00  0.00    +0.108 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.394   2.508  -0.699  0.00  0.00    +0.231 C 
ATOM     32  O   LIG    1       -6.017   2.301  -1.741  0.00  0.00    -0.274 OA
ATOM     33  N   LIG    1       -4.378   3.431  -0.718  0.00  0.00    -0.328 N 
ATOM     34  H   LIG    1       -3.755   3.582   0.062  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -4.140   3.834  -1.615  0.00  0.00    +0.145 HD
ENDBRANCH  28  31
ENDBRANCH   7  27
TORSDOF 7