REMARK  Name = BDB042536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.281   0.028  -0.085  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.932   1.313  -0.716  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.407   1.452  -0.880  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.687   1.325   0.394  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.599   1.786   0.627  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.122   1.715   1.740  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.405   0.634   1.471  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.343  -0.471   0.949  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        4.988  -1.756   0.098  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1        4.608  -0.403  -0.042  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        5.671   0.513  -0.159  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        7.015   0.115  -0.109  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        7.345  -1.224   0.050  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.329  -2.166   0.149  0.00  0.00    +0.043 A 
BRANCH   9  16
ATOM     15  C   LIG    1        3.298  -3.686   0.151  0.00  0.00    +0.135 C 
ATOM     16  N   LIG    1        4.043  -2.780   0.126  0.00  0.00    -0.348 NA
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  C   LIG    1       -1.318   2.427  -0.552  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.815   2.627  -0.298  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.600   1.343  -0.421  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.895   0.908  -1.694  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.594   1.443  -2.500  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.608  -0.233  -1.994  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -4.838  -0.563  -3.151  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.081  -1.035  -0.841  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.787  -0.590   0.458  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -5.226  -1.340   1.555  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.950  -2.517   1.348  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.232  -2.939   0.051  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -6.927  -4.068  -0.134  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.805  -2.211  -1.050  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -4.026   0.647   0.645  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5