REMARK  Name = BDB033029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.313  -0.200  -0.978  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.940   0.477   0.241  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.238   0.882  -0.240  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.276   0.978  -1.620  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        3.204   1.395  -2.294  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.940   0.535  -2.161  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.883  -0.886  -0.087  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.135  -0.168  -0.991  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.627   0.496  -1.583  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.353  -1.624   0.740  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.065   0.206  -0.926  0.00  0.00    +0.132 A 
ATOM     12  C   LIG    1       -3.376  -0.740  -0.138  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -4.109  -1.626   0.676  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.507  -1.588   0.722  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.267  -2.565   1.569  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.179  -0.664  -0.078  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -5.467   0.226  -0.888  0.00  0.00    +0.046 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -4.014   2.068  -2.434  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.321   1.066  -1.697  0.00  0.00    -0.494 OA
ENDBRANCH  11  19
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.274   1.393   0.639  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.389   0.408   0.931  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.655   0.832   1.388  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        6.695  -0.076   1.650  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        6.475  -1.440   1.479  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.227  -1.889   1.055  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.197  -0.979   0.789  0.00  0.00    +0.007 A 
BRANCH  22  27
ATOM     27  N   LIG    1        5.936   2.245   1.635  0.00  0.00    +0.057 N 
ATOM     28  O   LIG    1        5.088   2.895   2.260  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        7.018   2.690   1.227  0.00  0.00    -0.126 OA
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6