REMARK  Name = BDB053787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.592  -0.360  -0.083  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -0.437   0.322  -0.266  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.782  -0.379  -0.145  0.00  0.00    -0.212 N 
ATOM      4  C   LIG    1        0.800  -1.749   0.123  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1        2.124  -2.108   0.196  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        2.867  -0.927  -0.042  0.00  0.00    +0.095 A 
ATOM      7  N   LIG    1       -0.339  -2.486   0.249  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1        2.044   0.110  -0.250  0.00  0.00    -0.164 NA
ATOM      9  C   LIG    1       -1.450  -1.823   0.136  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.327  -0.759  -0.080  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.192  -1.827   0.204  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        6.581  -1.652   0.164  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        7.116  -0.408  -0.159  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        8.822  -0.196  -0.206  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        6.276   0.664  -0.442  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.889   0.488  -0.402  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  C   LIG    1       -0.395   1.763  -0.590  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -0.728   2.212  -1.876  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -0.689   3.574  -2.178  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -0.313   4.495  -1.202  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        0.028   4.057   0.076  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -0.012   2.696   0.383  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  24
ATOM     23  O   LIG    1       -3.185   1.627   0.543  0.00  0.00    -0.164 OA
ATOM     24  S   LIG    1       -3.149   0.374  -0.188  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1       -3.589   0.315  -1.571  0.00  0.00    -0.164 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.232  -0.706   0.736  0.00  0.00    +0.094 A 
ATOM     27  C   LIG    1       -5.154  -1.515   0.066  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -5.988  -2.354   0.803  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.907  -2.373   2.197  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.999  -1.547   2.862  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.160  -0.704   2.134  0.00  0.00    +0.027 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4