REMARK  Name = BDB027679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.037  -1.779  -0.846  0.00  0.00    -0.323 N 
ATOM      2  H   LIG    1        0.375  -2.493  -0.250  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.386  -1.629  -0.493  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.217  -2.763  -0.477  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -3.541  -2.536  -0.099  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1       -4.366  -3.651  -0.069  0.00  0.00    +0.139 A 
ATOM      7  N   LIG    1       -4.005  -4.924  -0.380  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -2.728  -5.104  -0.759  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1       -4.013  -1.323   0.219  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1       -3.153  -0.296   0.149  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1       -1.809  -4.074  -0.823  0.00  0.00    +0.033 A 
ATOM     12  N   LIG    1       -1.860  -0.411  -0.197  0.00  0.00    -0.212 NA
BRANCH  10  13
ATOM     13  C   LIG    1       -3.658   1.049   0.484  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.000   1.264   0.833  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.429   2.546   1.141  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -4.626   3.628   1.129  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -3.338   3.418   0.794  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -2.819   2.174   0.470  0.00  0.00    +0.031 A 
ENDBRANCH  10  13
ENDBRANCH   1   3
BRANCH   1  20
ATOM     19  C   LIG    1        0.378   0.324  -2.110  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        0.886  -0.622  -1.006  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        2.210  -1.247  -1.514  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1        1.121   0.096   0.356  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.162   1.181   0.356  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1        3.529   1.066   0.774  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.123   2.318   0.613  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        5.466   2.567   0.920  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1        6.227   1.502   1.411  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.664   0.242   1.589  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        3.155   3.166   0.130  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1        3.303   4.145  -0.075  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1        4.319   0.011   1.276  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        1.971   2.498  -0.017  0.00  0.00    +0.087 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5