REMARK  Name = BDB051945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.413  -0.130   0.582  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.792   0.475  -0.498  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -1.397   0.933  -1.164  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.837  -0.599   1.556  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -5.701   0.118  -2.695  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -6.082  -0.045  -1.253  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -5.002  -0.114  -0.339  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -5.101  -0.276   1.046  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.803  -0.310   1.571  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.640  -0.478   2.966  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.756  -0.604   3.796  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.034  -0.566   3.259  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.881  -0.146   0.491  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -6.227  -0.403   1.885  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.651  -0.038  -0.655  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -7.241  -0.113  -0.863  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        0.592   0.599  -0.741  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        1.586   0.012   0.049  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        2.952   0.150  -0.264  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        3.314   0.909  -1.385  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        2.327   1.517  -2.167  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        0.974   1.347  -1.859  0.00  0.00    +0.038 A 
BRANCH  19  23
ATOM     23  C   LIG    1        3.990  -0.521   0.613  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        4.846   0.492   1.394  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1        6.232  -0.131   1.445  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        6.363  -0.787   0.082  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        4.992  -1.410  -0.153  0.00  0.00    +0.008 C 
ENDBRANCH  19  23
BRANCH  21  28
ATOM     28  C   LIG    1        2.672   2.324  -3.359  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        2.015   2.300  -4.385  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        3.744   3.121  -3.172  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        4.065   3.168  -2.252  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH   2  17
TORSDOF 5