REMARK  Name = BDB038863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.478   0.484   0.288  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -0.536  -0.453   0.068  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -0.481  -1.812  -0.156  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1        0.371  -2.349  -0.209  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -1.739  -2.341  -0.312  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.642  -1.285  -0.212  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -4.018  -1.559  -0.347  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.438  -2.875  -0.573  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.510  -3.910  -0.668  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.140  -3.663  -0.540  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.882  -0.093   0.012  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.220   1.259   0.172  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -1.179   2.163   0.359  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1        0.127   1.790   0.410  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        4.660  -0.411   0.530  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1        3.748  -1.172   1.271  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.381  -0.879   1.193  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.904   0.161   0.375  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        2.846   0.920  -0.346  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.214   0.639  -0.278  0.00  0.00    +0.033 A 
BRANCH  15  22
ATOM     21  O   LIG    1        6.442  -1.670   1.317  0.00  0.00    -0.126 OA
ATOM     22  N   LIG    1        6.094  -0.713   0.610  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        6.872  -0.001  -0.040  0.00  0.00    -0.126 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH  13  24
ATOM     24  C   LIG    1       -1.467   3.592   0.511  0.00  0.00    +0.222 A 
ATOM     25  N   LIG    1       -0.549   4.567   0.664  0.00  0.00    -0.132 NA
ATOM     26  N   LIG    1       -1.345   5.638   0.755  0.00  0.00    -0.176 N 
ATOM     27  H   LIG    1       -0.977   6.576   0.883  0.00  0.00    +0.214 HD
ATOM     28  N   LIG    1       -2.659   5.405   0.666  0.00  0.00    -0.048 NA
ATOM     29  N   LIG    1       -2.754   4.093   0.509  0.00  0.00    -0.106 NA
ENDBRANCH  13  24
TORSDOF 3