REMARK  Name = BDB051985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609  -1.166  -1.959  0.00  0.00    +0.117 A 
ATOM      2  S   LIG    1       -1.327   0.231  -2.650  0.00  0.00    -0.068 S 
ATOM      3  C   LIG    1       -2.415   0.338  -1.317  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.153  -0.702  -0.434  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -1.148  -1.575  -0.829  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.428   1.397  -1.307  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -3.060   2.750  -1.363  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.033   3.753  -1.341  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -5.380   3.409  -1.260  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -6.578   4.644  -1.228  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -5.763   2.071  -1.202  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.790   1.068  -1.226  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   4  13
ATOM     13  C   LIG    1       -2.860  -0.943   0.819  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.112   0.089   1.733  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -3.791  -0.174   2.926  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.212  -1.469   3.220  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.950  -2.506   2.326  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.272  -2.244   1.134  0.00  0.00    +0.010 A 
ENDBRANCH   4  13
BRANCH   1  19
ATOM     19  C   LIG    1        0.530  -1.860  -2.646  0.00  0.00    +0.291 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.651  -0.974  -2.748  0.00  0.00    -0.485 OA
BRANCH  20  26
ATOM     21  C   LIG    1        3.104  -1.872   1.931  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        3.338  -1.298   0.559  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        4.526  -0.605   0.265  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.705  -0.071  -1.012  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.711  -0.222  -1.984  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        2.533  -0.913  -1.706  0.00  0.00    +0.122 A 
ATOM     27  C   LIG    1        2.347  -1.444  -0.431  0.00  0.00    +0.052 A 
BRANCH  23  28
ATOM     28  O   LIG    1        5.427  -0.518   1.293  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.598   0.258   1.107  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.389   1.763   1.102  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1        6.873   2.548   0.300  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.622   2.208   2.117  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        5.557   3.174   1.973  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  20  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9