REMARK  Name = BDB050671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.049   0.658   0.074  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.996   0.740  -0.764  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.082   1.404  -0.339  0.00  0.00    +0.192 A 
ATOM      4  N   LIG    1       -2.215   1.968   0.862  0.00  0.00    -0.210 NA
ATOM      5  C   LIG    1       -1.155   1.837   1.667  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1       -1.356   2.545   3.218  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1        0.007   1.191   1.340  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        1.161  -0.061  -0.385  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        0.976  -0.332  -1.349  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1        5.921  -1.592  -0.345  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.868  -0.522  -0.225  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1        3.486  -0.821  -0.305  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1        3.026  -2.240  -0.545  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1        2.536   0.225  -0.204  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        2.985   1.542  -0.022  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        4.344   1.827   0.090  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.278   0.801  -0.008  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  S   LIG    1       -3.427   1.553  -1.473  0.00  0.00    -0.068 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.549   0.174  -0.916  0.00  0.00    +0.115 C 
ATOM     20  C   LIG    1       -5.166   0.545   0.440  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -3.780  -1.152  -0.846  0.00  0.00    +0.035 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.680   0.030  -1.966  0.00  0.00    +0.321 C 
ATOM     23  O   LIG    1       -5.776   0.660  -3.010  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.616  -0.906  -1.659  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -6.491  -1.389  -0.823  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6