REMARK  Name = BDB041497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.367  -0.366  -1.248  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.330  -1.109  -1.185  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.102   0.827  -0.565  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.907   1.730  -0.399  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.290   0.882  -0.023  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.034  -0.250  -0.168  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        3.302  -0.266   0.321  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.846   0.869   0.952  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.049   2.020   1.083  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.750   2.030   0.593  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.082  -1.553   0.142  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        4.317  -2.468   1.323  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1        3.375  -2.889   0.237  0.00  0.00    +0.010 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        5.261   0.888   1.476  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1        6.243   0.999   0.405  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        7.123  -0.002   0.193  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        7.872   0.443  -0.820  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.491   1.729  -1.243  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.442   2.070  -0.422  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -1.839  -0.834  -1.842  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -2.206   0.129  -2.858  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -1.710  -2.239  -2.181  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.579  -1.359   0.755  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.920  -0.740  -0.456  0.00  0.00    +0.192 A 
ATOM     25  C   LIG    1       -4.127  -0.069  -0.524  0.00  0.00    +0.155 A 
ATOM     26  O   LIG    1       -4.655   0.542  -1.631  0.00  0.00    -0.484 OA
ATOM     27  C   LIG    1       -5.788   1.315  -1.153  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -6.202   0.757   0.224  0.00  0.00    +0.086 C 
ATOM     29  C   LIG    1       -5.354   2.784  -1.068  0.00  0.00    +0.056 C 
ATOM     30  C   LIG    1       -6.917   1.163  -2.173  0.00  0.00    +0.056 C 
ATOM     31  C   LIG    1       -4.964   0.022   0.583  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.629  -0.559   1.793  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1       -3.420  -1.249   1.879  0.00  0.00    +0.048 A 
BRANCH  23  35
ATOM     34  C   LIG    1       -1.596  -3.435   0.963  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -1.387  -2.022   0.897  0.00  0.00    -0.493 OA
ENDBRANCH  23  35
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7