REMARK  Name = BDB052279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.850  -3.808  -1.572  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        0.775  -2.788  -1.294  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1        1.080  -1.472  -0.875  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.038  -0.563  -0.629  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.307  -0.961  -0.790  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.569  -2.259  -1.198  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -2.932  -2.346  -1.262  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -3.487  -3.152  -1.525  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.575  -1.216  -0.934  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1       -2.591  -0.352  -0.640  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1       -0.566  -3.195  -1.458  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1        2.440  -1.107  -0.728  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        3.121  -1.827  -0.935  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        2.964   0.081  -0.242  0.00  0.00    +0.222 C 
ATOM     15  O   LIG    1        2.329   1.051   0.164  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.487   0.121  -0.284  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.065  -0.935   0.610  0.00  0.00    -0.001 A 
ATOM     18  S   LIG    1        5.752  -2.355  -0.061  0.00  0.00    -0.101 S 
ATOM     19  C   LIG    1        6.133  -2.977   1.485  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        5.749  -2.123   2.495  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        5.134  -0.941   1.990  0.00  0.00    +0.011 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   3  12
BRANCH  10  22
ATOM     22  C   LIG    1       -2.808   1.006  -0.229  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -4.016   1.574  -0.068  0.00  0.00    +0.010 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.231   2.968   0.344  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1       -3.425   3.602   1.299  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.680   4.921   1.683  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.750   5.617   1.123  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.569   4.992   0.185  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.314   3.673  -0.198  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  10  22
TORSDOF 5