REMARK  Name = BDB026949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.538   0.366   1.996  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.544  -1.022   1.786  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.541  -1.569   0.978  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.542  -0.798   0.383  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.699  -1.683  -0.372  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        1.219  -2.957  -0.202  0.00  0.00    +0.095 A 
ATOM      7  C   LIG    1        1.544   0.593   0.623  0.00  0.00    +0.011 A 
ATOM      8  N   LIG    1        2.319  -2.874   0.612  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1        2.892  -3.656   0.904  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        2.537   1.163   1.431  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        4.951   2.260   2.615  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1        4.609   2.709   1.777  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.610   0.943   2.857  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        5.162   0.246   3.702  0.00  0.00    -0.270 OA
BRANCH  11  16
ATOM     15  C   LIG    1        7.383   2.599   2.696  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        6.036   2.902   3.327  0.00  0.00    +0.101 C 
ENDBRANCH  11  16
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  C   LIG    1       -0.479  -1.313  -1.166  0.00  0.00    +0.182 C 
ATOM     18  O   LIG    1       -0.822  -0.132  -1.281  0.00  0.00    -0.290 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -1.287  -2.425  -1.879  0.00  0.00    +0.122 C 
ATOM     20  C   LIG    1       -0.675  -2.675  -3.255  0.00  0.00    +0.032 C 
BRANCH  19  21
ATOM     21  N   LIG    1       -2.698  -2.000  -2.076  0.00  0.00    -0.307 NA
ATOM     22  H   LIG    1       -2.670  -1.009  -2.348  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.470  -2.099  -0.828  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.915  -1.604  -1.008  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.022  -0.105  -1.162  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -5.046   0.479  -2.437  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.115   1.866  -2.578  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.167   2.684  -1.445  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -5.144   2.108  -0.171  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -5.069   0.721  -0.031  0.00  0.00    +0.005 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.240   4.108  -1.589  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       -5.305   5.261  -1.705  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 9