REMARK  Name = BDB047149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431  -2.144   0.329  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -1.725  -1.574   0.458  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.829  -2.422   0.624  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.658  -3.807   0.670  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.373  -4.352   0.548  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.254  -3.528   0.377  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.852  -0.164   0.381  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -2.319   0.260  -0.966  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.709   1.753  -0.943  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.860   2.041  -0.057  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.824   3.428   0.399  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.934   1.088   1.071  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.588   0.466   1.507  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1        1.956  -1.464  -0.057  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1        0.622  -1.218   0.176  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.284  -0.259   0.186  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        2.468  -2.562  -0.240  0.00  0.00    -0.270 OA
BRANCH  14  21
ATOM     18  C   LIG    1        3.099   3.242   1.370  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        3.367   2.028   0.529  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1        2.549   0.896   0.637  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.816  -0.247  -0.129  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.933  -0.271  -0.975  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        4.776   0.842  -1.071  0.00  0.00    -0.049 A 
ATOM     24  C   LIG    1        5.953   0.822  -2.001  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        4.478   1.990  -0.325  0.00  0.00    +0.006 A 
ENDBRANCH  14  21
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -1.203  -5.810   0.602  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1       -0.051  -6.262   0.646  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -2.229  -6.506   0.607  0.00  0.00    -0.126 OA
ENDBRANCH   5  26
TORSDOF 4