REMARK  Name = BDB026665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.011   4.358   0.405  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.215   3.738   0.683  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.255   2.340   0.802  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.326   1.544   1.084  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1        0.868   0.304   1.097  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1       -0.502   0.267   0.837  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1       -0.904   1.587   0.639  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -2.148   2.197   0.409  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.176   3.592   0.289  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.346  -0.877   0.759  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -2.285  -0.980  -0.278  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.113  -2.105  -0.370  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -4.183  -2.201  -1.422  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -4.477  -3.649  -1.780  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -4.657  -4.512  -0.552  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -3.848  -4.230   0.516  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -3.881  -4.896   1.277  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -5.416  -5.478  -0.534  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.010  -3.115   0.591  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -2.098  -3.006   1.639  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.259  -1.891   1.720  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1       -0.029   7.923  -0.407  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        0.013   6.507  -0.138  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        0.779   5.978  -0.532  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -1.123   5.837   0.269  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -2.195   6.394   0.480  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1        1.758  -0.891   1.226  0.00  0.00    +0.234 C 
BRANCH  27  28
ATOM     28  O   LIG    1        1.641  -1.685   0.045  0.00  0.00    -0.368 OA
BRANCH  28  29
ATOM     29  C   LIG    1        2.498  -1.246  -1.012  0.00  0.00    +0.195 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.900  -1.770  -0.831  0.00  0.00    -0.022 A 
ATOM     31  C   LIG    1        4.995  -0.895  -0.835  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1        6.292  -1.386  -0.674  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.507  -2.754  -0.513  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.426  -3.633  -0.511  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        4.129  -3.144  -0.671  0.00  0.00    +0.006 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6