REMARK  Name = BDB059405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.353   0.518  -0.655  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1        0.678   0.350  -1.603  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.306   1.485  -2.139  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        0.933   2.769  -1.734  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.079   2.932  -0.792  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.727   1.816  -0.264  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.550  -3.378   0.164  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.490  -2.351   0.339  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -1.689  -2.163   1.452  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.833  -1.103   1.210  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1        0.094  -0.692   2.166  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1        0.164  -1.329   3.343  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -0.678  -2.383   3.605  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -0.629  -2.873   4.489  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.077  -0.608  -0.061  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -1.629  -2.867   2.717  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -2.338  -3.821   3.027  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -2.099  -1.367  -0.609  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1       -0.487   4.238  -0.384  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -0.970   4.277   0.516  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.370   5.165  -1.497  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1       -1.648   4.401  -2.691  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -2.425   5.783  -0.723  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1       -0.182   6.430  -1.889  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  S   LIG    1        1.234  -1.244  -2.210  0.00  0.00    -0.089 S 
BRANCH  25  26
ATOM     26  C   LIG    1        2.072  -1.903  -0.780  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        3.155  -1.236  -0.197  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        3.794  -1.772   0.923  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.359  -2.983   1.462  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.292  -3.662   0.876  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        1.654  -3.126  -0.245  0.00  0.00    +0.015 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5