REMARK  Name = BDB051976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.719  -0.263  -0.838  0.00  0.00    +0.117 A 
ATOM      2  S   LIG    1       -1.488   1.223  -1.222  0.00  0.00    -0.068 S 
ATOM      3  C   LIG    1       -3.003   0.576  -0.719  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.825  -0.746  -0.328  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -1.517  -1.210  -0.390  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.877  -1.637   0.151  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.624  -2.454   1.263  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.607  -3.323   1.746  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -5.845  -3.386   1.112  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -7.057  -4.453   1.705  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -6.106  -2.593  -0.004  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.122  -1.724  -0.487  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   3  13
ATOM     13  C   LIG    1       -4.185   1.442  -0.723  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1       -4.888   1.678   0.467  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -6.026   2.489   0.470  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.470   3.072  -0.715  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.779   2.846  -1.904  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.642   2.035  -1.909  0.00  0.00    +0.009 A 
ENDBRANCH   3  13
BRANCH   1  19
ATOM     19  C   LIG    1        0.758  -0.428  -1.046  0.00  0.00    +0.291 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.419   0.369  -0.062  0.00  0.00    -0.485 OA
BRANCH  20  26
ATOM     21  C   LIG    1        5.375   2.243   1.992  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        4.773   1.334   0.956  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.590   0.592   0.086  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.995  -0.243  -0.863  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.599  -0.350  -0.948  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        2.785   0.381  -0.087  0.00  0.00    +0.122 A 
ATOM     27  C   LIG    1        3.377   1.217   0.860  0.00  0.00    +0.052 A 
BRANCH  23  28
ATOM     28  O   LIG    1        6.938   0.768   0.251  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.828  -0.035  -0.506  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.906  -1.493  -0.087  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1        7.846  -2.456  -0.838  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.086  -1.667   1.237  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        8.094  -2.638   1.362  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