REMARK  Name = BDB016038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.965   2.104   0.168  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.094   1.269  -0.427  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.197   1.644  -0.532  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.628   2.890  -0.074  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.650   3.674   0.513  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.640   3.311   0.658  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.067  -0.117   0.045  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.748   0.346  -0.085  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.363   1.647   0.305  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.364   2.481   0.832  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.683   2.041   0.964  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.032   0.749   0.572  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.273  -4.555  -0.314  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.393  -3.429  -0.507  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.392  -3.518  -1.400  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.795  -2.326  -1.317  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.406  -1.469  -0.370  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.442  -2.227   0.139  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.988   3.378  -0.206  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.669   4.099   0.755  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.905   4.356   0.235  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.983   5.077   0.868  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.080   3.857  -1.000  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.914   3.263  -1.268  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.092   0.766  -1.160  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.964   0.689  -0.636  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.605  -0.552  -1.563  0.00  0.00    +0.108 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.384  -1.506  -0.384  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -2.578  -1.730   0.558  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -2.124  -2.969   1.333  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -1.405  -3.848   0.309  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -1.000  -2.921  -0.840  0.00  0.00    +0.006 C 
BRANCH  29  33
ATOM     33  N   LIG    1       -3.838  -1.981  -0.141  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1       -4.566  -2.193   0.543  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1       -3.763  -2.815  -0.723  0.00  0.00    +0.118 HD
ENDBRANCH  29  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7