REMARK  Name = BDB061106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.827   0.041   0.566  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.375   0.016  -0.734  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.665   0.539  -1.835  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        0.953   0.656  -3.222  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.128   1.257  -3.825  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -1.065   1.507  -2.854  0.00  0.00    -0.345 N 
ATOM      7  C   LIG    1       -0.602   1.083  -1.624  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -1.188   1.117  -0.352  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.457   0.590   0.723  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        2.255  -0.582   3.997  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1        3.092  -1.593   3.743  0.00  0.00    -0.197 NA
ATOM     12  C   LIG    1        3.114  -2.010   2.464  0.00  0.00    +0.272 A 
ATOM     13  N   LIG    1        2.415  -1.531   1.424  0.00  0.00    -0.212 NA
ATOM     14  C   LIG    1        1.591  -0.505   1.708  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        1.495   0.004   2.995  0.00  0.00    +0.072 A 
BRANCH  12  16
ATOM     16  S   LIG    1        4.245  -3.338   2.095  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1        3.487  -4.577   2.019  0.00  0.00    -0.167 OA
ATOM     18  O   LIG    1        5.112  -2.921   1.003  0.00  0.00    -0.167 OA
ATOM     19  C   LIG    1        5.272  -3.445   3.535  0.00  0.00    +0.204 C 
ENDBRANCH  12  16
BRANCH  10  21
ATOM     20  C   LIG    1        2.945  -0.734   6.307  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1        2.178  -0.035   5.289  0.00  0.00    -0.332 N 
ATOM     22  H   LIG    1        1.204   0.074   5.561  0.00  0.00    +0.147 HD
ENDBRANCH  10  21
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1       -2.357   2.132  -3.106  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.466   1.087  -3.290  0.00  0.00    +0.105 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.813   1.678  -3.434  0.00  0.00    -0.307 NA
ATOM     26  C   LIG    1       -5.831   0.628  -3.317  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -4.970   2.372  -4.715  0.00  0.00    +0.104 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6