REMARK  Name = BDB057260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.988  -1.044   2.189  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.053  -1.456   1.187  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.159  -2.769   0.755  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -0.649  -3.339  -0.210  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.696  -2.572  -0.734  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.930  -1.247  -0.305  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.355  -3.365   1.430  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.087  -0.687   0.667  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.525  -2.421   2.631  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.034  -0.497  -0.892  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -3.773  -0.970  -1.976  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.657  -0.035  -2.195  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -5.773   0.197  -3.130  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -6.524   1.360  -2.432  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -5.490   2.048  -1.519  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -4.518   0.997  -1.323  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -3.506   0.742  -0.475  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        2.935   0.455   2.297  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1        2.004  -0.233   1.553  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1        1.903  -0.055   0.563  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        2.976   0.421   3.521  0.00  0.00    -0.270 OA
BRANCH  18  27
ATOM     22  C   LIG    1        5.610   1.569  -1.816  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1        5.186   1.842  -0.404  0.00  0.00    +0.039 A 
ATOM     24  N   LIG    1        5.737   2.914   0.212  0.00  0.00    -0.260 NA
ATOM     25  C   LIG    1        5.381   3.155   1.492  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1        4.481   2.380   2.195  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        3.904   1.293   1.542  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        4.270   1.006   0.225  0.00  0.00    +0.036 A 
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 3