REMARK  Name = BDB023143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.141  -0.645  -2.259  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.667  -1.404  -2.729  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.497   0.196  -1.344  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.097   1.038  -0.692  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.927  -0.056  -1.237  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.621   0.621  -0.264  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.923   0.240  -0.338  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.093  -0.684  -1.354  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.382  -1.186  -1.566  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.442  -0.748  -0.765  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.245   0.199   0.251  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.611  -2.089  -2.530  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.952   0.702   0.483  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.809  -0.871  -1.932  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.326   0.618   1.057  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.436   1.850   1.788  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.931   1.540   1.917  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -7.720   0.622   0.710  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.754  -0.558  -2.631  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        3.057   0.794  -3.046  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.001  -1.665  -3.532  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        3.020  -3.415  -1.200  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        3.623  -2.207  -0.541  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        3.565  -0.909  -1.081  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        4.178   0.168  -0.419  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        4.855  -0.020   0.794  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        4.918  -1.312   1.326  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.316  -2.388   0.666  0.00  0.00    +0.005 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.506   1.137   1.531  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1        4.473   2.182   1.962  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        6.619   1.780   0.699  0.00  0.00    +0.012 C 
ENDBRANCH  26  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5