REMARK  Name = BDB023165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.155  -1.994   2.153  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.613  -2.839   2.286  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.581  -0.823   1.643  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.258   0.112   1.245  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.868  -0.861   1.602  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.511   0.159   0.946  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.847  -0.078   1.015  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.090  -1.244   1.719  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.423  -1.636   1.883  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.452  -0.857   1.346  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.179   0.325   0.644  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.724  -2.757   2.550  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.843   0.726   0.462  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.815  -1.744   2.097  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.232   1.091   0.097  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.588   1.158   0.566  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.735   2.417  -0.299  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.206   2.492  -0.226  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.790  -2.270   2.209  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.952  -3.676   2.509  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.378  -1.272   3.076  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        4.854  -0.802  -0.948  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1        4.365  -1.049   0.343  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        3.363  -2.011   0.555  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1        2.846  -2.737  -0.520  0.00  0.00    +0.068 A 
ATOM     26 CL   LIG    1        1.596  -3.922  -0.376  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        3.334  -2.493  -1.808  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.328  -1.535  -2.020  0.00  0.00    +0.007 A 
BRANCH  22  29
ATOM     29  C   LIG    1        5.925   0.233  -1.185  0.00  0.00    +0.195 C 
BRANCH  29  30
ATOM     30  O   LIG    1        5.407   1.221  -2.071  0.00  0.00    -0.375 OA
BRANCH  30  32
ATOM     31  C   LIG    1        5.773   3.191  -3.358  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1        6.354   2.257  -2.314  0.00  0.00    +0.157 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7