REMARK  Name = BDB061726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.201  -0.717  -0.390  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1        0.926  -1.167   0.656  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1       -0.118  -1.307  -0.701  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.589  -1.009  -1.849  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1        1.914  -0.675  -1.664  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1        4.557   0.309  -1.578  0.00  0.00    -0.252 OA
ATOM      7  C   LIG    1        4.500   0.012  -0.393  0.00  0.00    +0.310 C 
ATOM      8  N   LIG    1        3.379  -0.468   0.256  0.00  0.00    -0.248 N 
ATOM      9  H   LIG    1        3.355  -0.527   1.258  0.00  0.00    +0.158 HD
ATOM     10  N   LIG    1        5.562   0.112   0.501  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        5.436  -0.334   1.395  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1        6.850   0.634   0.255  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        7.224   1.270  -0.930  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        8.522   1.769  -1.089  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        9.455   1.640  -0.063  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        9.091   1.013   1.125  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        7.795   0.514   1.284  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.552  -1.702  -0.548  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.462  -0.485  -0.339  0.00  0.00    +0.108 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.856  -0.926  -0.236  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1       -4.168  -1.389  -1.087  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.781   0.108   0.049  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -6.150  -0.208   0.168  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -7.000   0.875   0.431  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -8.365   0.637   0.549  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -8.907  -0.644   0.421  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -8.071  -1.724   0.174  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -6.554   2.126   0.576  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -5.234   2.305   0.469  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -6.700  -1.511   0.050  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -4.323   1.360   0.213  0.00  0.00    -0.220 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6