REMARK  Name = BDB002147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.354  -1.414  -3.293  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.931  -0.846  -1.923  0.00  0.00    -0.023 C 
ATOM      3  C   LIG    1       -1.407  -0.619  -1.951  0.00  0.00    +0.058 C 
ATOM      4  C   LIG    1       -0.974   0.401  -0.926  0.00  0.00    +0.033 C 
ATOM      5  N   LIG    1       -0.031   0.098  -0.089  0.00  0.00    -0.236 NA
ATOM      6  C   LIG    1        0.410   1.073   0.772  0.00  0.00    +0.164 A 
ATOM      7  C   LIG    1       -0.272   2.207   0.996  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -1.573   2.507   0.309  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1        0.310   3.185   1.930  0.00  0.00    +0.258 A 
ATOM     10  O   LIG    1       -0.203   4.278   2.138  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        1.469   2.799   2.525  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1        1.912   3.431   3.174  0.00  0.00    +0.171 HD
ATOM     13  C   LIG    1        2.064   1.619   2.220  0.00  0.00    +0.171 A 
ATOM     14  N   LIG    1        1.592   0.765   1.383  0.00  0.00    -0.204 NA
ATOM     15  C   LIG    1       -1.593   1.768  -1.038  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -2.945   1.731  -1.709  0.00  0.00    +0.143 C 
ATOM     17  O   LIG    1       -3.414   2.741  -2.235  0.00  0.00    -0.297 OA
ATOM     18  C   LIG    1       -3.744   0.442  -1.633  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -3.265  -1.901  -0.850  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   8  20
ATOM     20  C   LIG    1       -2.811   2.267   1.163  0.00  0.00    -0.002 A 
ATOM     21  S   LIG    1       -2.956   0.906   2.202  0.00  0.00    -0.101 S 
ATOM     22  C   LIG    1       -4.511   1.381   2.725  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -4.918   2.554   2.134  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.938   3.068   1.239  0.00  0.00    +0.012 A 
ENDBRANCH   8  20
BRANCH  13  25
ATOM     25  S   LIG    1        3.560   1.385   3.076  0.00  0.00    -0.086 S 
BRANCH  25  26
ATOM     26  C   LIG    1        3.912  -0.356   2.652  0.00  0.00    +0.092 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.458  -0.502   1.220  0.00  0.00    +0.095 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.491  -1.904   0.757  0.00  0.00    -0.297 NA
ATOM     29  C   LIG    1        3.133  -2.416   0.438  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1        2.765  -2.307  -1.050  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1        3.658  -3.039  -1.905  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1        4.968  -3.195  -1.341  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1        5.363  -2.017  -0.439  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  13  25
TORSDOF 5