REMARK  Name = BDB028383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.344  -4.013  -1.523  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.413  -3.632  -0.485  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.931  -2.373  -0.198  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        0.125  -2.537   0.922  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.194  -3.917   1.212  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        0.961  -4.586   0.352  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.594  -1.489   1.627  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.399  -0.574   0.933  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.062   0.452   1.619  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.933   0.548   3.001  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.628   1.632   3.713  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.354   2.499   2.934  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.836   3.257   3.408  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.489   2.443   1.581  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.560   1.744   4.932  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.149  -0.370   3.707  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.892   1.480   0.941  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -0.481  -1.386   3.019  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.055   1.445  -0.577  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.816   1.910  -1.202  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -1.956   1.974  -2.210  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -1.638   2.868  -0.893  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.271  -1.183  -0.935  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1        1.937  -0.059  -0.487  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        2.060   0.963  -1.496  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        1.470   0.560  -2.696  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        1.463   1.389  -3.835  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        2.061   2.648  -3.760  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.654   3.076  -2.582  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.660   2.250  -1.454  0.00  0.00    +0.010 A 
ATOM     31  S   LIG    1        0.792  -1.015  -2.567  0.00  0.00    -0.085 S 
BRANCH  24  32
ATOM     32  C   LIG    1        2.457   0.073   0.843  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        2.892   0.190   1.912  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   3  23
TORSDOF 5