REMARK  Name = BDB059411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417   1.135   0.894  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.743   0.764   1.176  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        2.805   1.617   0.858  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.560   2.817   0.190  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.251   3.167  -0.142  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.186   2.341   0.221  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  17
ATOM      7  C   LIG    1       -3.141  -1.344   3.591  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.330  -0.811   2.463  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -2.518  -1.064   1.112  0.00  0.00    +0.108 A 
ATOM     10  C   LIG    1       -3.504  -1.889   0.443  0.00  0.00    +0.261 C 
ATOM     11  N   LIG    1       -3.325  -2.018  -0.918  0.00  0.00    -0.308 N 
ATOM     12  H   LIG    1       -3.937  -2.708  -1.336  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -2.053  -1.701  -1.540  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1       -1.473  -0.389  -1.024  0.00  0.00    +0.141 C 
ATOM     15  O   LIG    1       -4.443  -2.456   0.992  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1       -1.546  -0.359   0.429  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -0.727   0.318   1.298  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -1.201   0.049   2.570  0.00  0.00    +0.032 A 
ENDBRANCH   1  17
BRANCH   5  19
ATOM     19  N   LIG    1        1.012   4.348  -0.896  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        1.629   5.145  -0.738  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.528   4.196  -2.505  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        0.364   5.545  -3.002  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -0.530   3.216  -2.614  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        1.990   3.527  -3.273  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        2.062  -0.420   1.807  0.00  0.00    -0.455 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.866  -1.569   1.068  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        2.298  -1.710  -0.254  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        2.077  -2.909  -0.933  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        1.434  -3.968  -0.290  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.021  -3.833   1.035  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        1.246  -2.637   1.717  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5