REMARK  Name = BDB059418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.231   0.342   0.716  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.126   0.716   0.801  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.460   2.069   0.904  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.539   3.046   0.899  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.878   2.674   0.816  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.228   1.329   0.720  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.108  -4.305   1.702  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.467  -3.148   1.024  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -1.919  -3.126  -0.247  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.427  -1.857  -0.500  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -0.848  -1.542  -1.728  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -0.743  -2.481  -2.678  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -1.209  -3.753  -2.440  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.134  -4.468  -3.153  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.640  -1.063   0.615  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -1.810  -4.160  -1.257  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -2.204  -5.316  -1.127  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -2.294  -1.841   1.556  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1       -2.893   3.675   0.751  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -3.799   3.388   1.131  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.155   4.396  -0.762  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1       -4.593   4.511  -0.889  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -2.352   3.754  -1.778  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1       -2.510   6.027  -0.467  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        1.041  -0.304   0.820  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.377  -0.042   0.384  0.00  0.00    +0.173 C 
ATOM     27  C   LIG    1        3.295   0.139   1.593  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        4.736   0.427   1.174  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.108  -0.175  -0.182  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        4.346  -1.464  -0.458  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        2.830  -1.254  -0.448  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5