REMARK  Name = BDB052153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769  -0.797   0.017  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.787   0.117  -0.290  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -3.143  -0.212  -0.139  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.449  -1.490   0.345  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1       -4.780  -1.855   0.541  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.015  -2.775   0.888  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.835  -1.026   0.306  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.532   0.350  -0.202  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.772   1.184  -0.381  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.452   2.963  -0.537  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.058   2.848  -1.679  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.904   2.075  -1.045  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.987  -1.407   0.493  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.446  -2.415   0.643  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -4.255   0.725  -0.451  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.105  -2.069   0.473  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1        0.496  -0.324  -0.196  0.00  0.00    -0.488 OA
BRANCH  17  20
ATOM     18  N   LIG    1        4.042  -0.676   0.643  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        2.725  -0.041   0.633  0.00  0.00    +0.128 C 
ATOM     20  C   LIG    1        1.611  -1.070   0.319  0.00  0.00    +0.187 C 
ATOM     21  C   LIG    1        2.073  -2.110  -0.720  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        3.233  -1.578  -1.556  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        4.430  -1.182  -0.678  0.00  0.00    +0.084 C 
BRANCH  18  24
ATOM     24  C   LIG    1        5.090   0.115   1.296  0.00  0.00    +0.084 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.455   2.227   1.476  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.321   1.527   0.740  0.00  0.00    +0.012 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4