REMARK  Name = BDB017072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.265   0.522   0.124  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        0.059   0.277   0.389  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.761   1.198  -0.365  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.120   1.988  -1.075  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.320   1.553  -0.770  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.215   1.347  -0.414  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.682   2.542  -0.851  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.017   2.714  -0.912  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.932   1.745  -0.549  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.450   0.515  -0.098  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.067   0.316  -0.031  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.366  -0.545   0.296  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        6.708  -0.455   0.255  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.041  -1.671   0.711  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        8.009  -1.965   0.814  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.025  -2.480   1.026  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        4.939  -1.768   0.764  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.403  -0.175   0.726  0.00  0.00    +0.118 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.195  -0.908  -0.351  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -4.366  -0.384  -0.922  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -5.052  -1.086  -1.917  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.576  -2.317  -2.361  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.412  -2.848  -1.813  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.725  -2.149  -0.819  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1       -2.478   1.224   2.866  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -3.243   0.750   1.635  0.00  0.00    +0.026 C 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5