REMARK  Name = BDB016454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.037  -0.441  -0.468  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.619  -1.643  -0.357  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.773  -2.649  -0.038  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1       -1.409  -2.457   0.146  0.00  0.00    +0.077 A 
ATOM      5  S   LIG    1       -0.627  -3.941   0.541  0.00  0.00    -0.092 S 
ATOM      6  C   LIG    1       -2.091  -4.818   0.466  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.872  -1.173  -0.005  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -3.157  -4.010   0.146  0.00  0.00    +0.036 A 
ATOM      9  N   LIG    1       -1.724  -0.176  -0.326  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.089   1.045  -0.151  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.901   0.693  -0.845  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.528   1.465  -1.969  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.308   2.529  -2.422  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.485   2.846  -1.762  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.872   2.113  -0.641  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.873   1.261   2.266  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.543   0.309   1.109  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.734  -0.603   0.806  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.484  -0.911   0.176  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.061  -1.739   0.074  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.991   0.276  -0.487  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.491   0.331  -0.310  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.045   0.695   0.923  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.432   0.730   1.098  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.303   0.398   0.049  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.738   0.026  -1.182  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.351  -0.011  -1.360  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.763   0.434   0.234  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.586   1.170  -0.636  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.972   1.205  -0.461  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.560   0.502   0.587  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.764  -0.235   1.460  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.378  -0.268   1.285  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6