REMARK  Name = BDB033034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.606  -1.112  -1.239  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.723  -0.931  -0.498  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.701  -0.954  -1.560  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.141  -0.640  -2.786  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.735  -0.481  -3.840  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.342  -0.455  -2.594  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.152  -1.039   0.668  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        1.762  -0.545  -0.562  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.476  -0.114  -1.135  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.515  -1.887   1.281  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.347  -0.876   2.668  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.142  -1.327   2.121  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.433  -0.520   1.221  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.922   0.751   0.891  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.125   1.201   1.439  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.838   0.388   2.322  0.00  0.00    +0.019 A 
BRANCH  11  18
ATOM     17  N   LIG    1        6.683  -2.369   4.316  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        6.079  -1.704   3.581  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -3.130  -1.017  -1.316  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.702   0.322  -0.918  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.908   0.726   0.411  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -4.394   2.001   0.739  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -4.691   2.900  -0.281  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.498   2.528  -1.611  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.006   1.256  -1.926  0.00  0.00    +0.007 A 
BRANCH  21  26
ATOM     26  N   LIG    1       -3.616  -0.168   1.516  0.00  0.00    +0.057 N 
ATOM     27  O   LIG    1       -2.716   0.176   2.292  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -4.296  -1.198   1.604  0.00  0.00    -0.126 OA
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6