REMARK  Name = BDB027691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558  -1.335   0.438  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.355  -2.489   0.522  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.715  -2.292   0.277  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.518  -3.419   0.364  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.100  -4.679   0.655  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.783  -4.837   0.868  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.240  -1.096  -0.028  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.396  -0.055  -0.102  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.881  -3.790   0.815  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.077  -0.136   0.122  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.953   1.266  -0.444  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.315   1.439  -0.732  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.791   2.702  -1.049  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -4.016   3.803  -1.101  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -2.708   3.634  -0.824  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -2.143   2.411  -0.497  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.832  -1.437   0.716  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1        0.952  -1.840   1.640  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1        3.987   1.261  -0.160  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.848   1.231  -0.964  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        1.795   0.355  -0.680  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        1.845  -0.494   0.430  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        3.011  -0.482   1.209  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        4.068   0.395   0.927  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.112   2.242   0.252  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.939   2.163  -0.547  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 4