REMARK  Name = BDB046044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.650  -3.887  -1.521  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.166  -3.141  -0.695  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.457  -2.440   0.246  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.923  -1.701   0.765  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.983  -2.289   0.131  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.395  -0.958   0.774  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        2.746  -0.625   0.753  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.706  -1.279  -0.158  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        5.173  -1.100   0.283  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        5.470   0.309   0.575  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        4.581   0.872   1.604  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.104   0.737   1.190  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        0.545  -0.235   1.306  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        5.653   1.116  -0.548  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        6.007   0.542  -1.710  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        6.190   1.341  -2.779  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        6.030   2.700  -2.744  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.665   3.205  -1.524  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        5.472   2.443  -0.431  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.657  -2.913  -0.638  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.074  -1.711  -1.487  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.918  -0.413  -0.798  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -1.737   0.279  -1.069  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -0.840  -0.139  -1.800  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -1.585   1.475  -0.448  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -0.664   1.879  -0.512  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -2.355   1.912   0.576  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -1.970   2.803   1.327  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -3.693   1.268   0.724  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -4.603   2.069   1.633  0.00  0.00    +0.069 C 
ATOM     31  C   LIG    1       -6.069   2.050   1.308  0.00  0.00    -0.026 C 
ATOM     32  C   LIG    1       -6.798   0.935   1.184  0.00  0.00    -0.030 C 
ATOM     33  C   LIG    1       -6.182  -0.415   1.322  0.00  0.00    +0.033 C 
ATOM     34  C   LIG    1       -5.204  -0.714   0.185  0.00  0.00    +0.058 C 
ATOM     35  C   LIG    1       -3.914   0.104   0.064  0.00  0.00    +0.032 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6