REMARK  Name = BDB059421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.141  -0.138  -0.338  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.002  -0.970  -0.257  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.146  -2.279   0.212  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.403  -2.763   0.587  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.526  -1.947   0.485  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.399  -0.636   0.033  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        1.544   4.142  -3.097  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        1.215   3.176  -2.017  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1        0.517   3.438  -0.849  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1        0.428   2.270  -0.111  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -0.199   2.253   1.135  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -0.741   3.376   1.625  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -0.678   4.543   0.899  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.084   5.396   1.263  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.052   1.249  -0.808  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -0.070   4.662  -0.342  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -0.055   5.744  -0.924  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        1.554   1.797  -1.978  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        3.797  -2.424   0.924  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        4.598  -2.002   0.447  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.092  -2.380   2.595  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        2.994  -1.746   3.289  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        5.453  -1.909   2.733  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        4.082  -4.117   2.977  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1       -1.182  -0.401  -0.643  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.377  -1.182  -0.693  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1       -3.073  -1.183   0.664  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -4.385  -1.956   0.592  0.00  0.00    +0.163 C 
ATOM     29  O   LIG    1       -4.910  -2.035  -0.735  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -4.768  -0.811  -1.449  0.00  0.00    +0.163 C 
ATOM     31  C   LIG    1       -3.298  -0.535  -1.735  0.00  0.00    +0.072 C 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5