REMARK  Name = BDB061007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.802   0.740   0.539  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.193   1.734   0.842  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.413   1.372   1.490  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -2.360   2.400   1.783  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.117   3.740   1.454  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.945   4.087   0.807  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.610   0.005   1.787  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.682  -0.966   1.433  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.011   3.099   0.501  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.498  -0.600   0.802  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  S   LIG    1       -3.937   2.052   2.545  0.00  0.00    +0.059 S 
ATOM     12  O   LIG    1       -4.733   3.262   2.558  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1       -3.698   1.302   3.757  0.00  0.00    -0.153 OA
BRANCH  11  14
ATOM     14  N   LIG    1       -4.656   1.014   1.456  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1       -5.057   0.168   1.854  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -5.227   1.554   0.232  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.290   0.491  -0.836  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -6.511  -0.093  -1.199  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -6.555  -1.089  -2.177  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.380  -1.514  -2.795  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.159  -0.946  -2.436  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.113   0.050  -1.460  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   4  11
BRANCH   1  23
ATOM     23  N   LIG    1        1.993   1.125  -0.093  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1        2.307   2.020   0.274  0.00  0.00    +0.146 HD
BRANCH  23  28
ATOM     25  N   LIG    1        5.026  -1.747  -0.884  0.00  0.00    -0.302 NA
ATOM     26  C   LIG    1        5.095  -1.087   0.430  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1        3.833  -0.306   0.819  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1        3.154   0.280  -0.415  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1        2.872  -0.753  -1.510  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1        3.649  -2.051  -1.282  0.00  0.00    +0.086 C 
BRANCH  25  32
ATOM     31  C   LIG    1        7.363  -2.612  -0.786  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1        5.883  -2.937  -0.963  0.00  0.00    +0.081 C 
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 7