REMARK  Name = BDB027614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -1.067   0.440  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.430  -2.393   0.355  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.796  -2.541   0.110  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.261  -3.845   0.034  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.513  -4.973   0.168  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.199  -4.792   0.384  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.627  -1.501  -0.049  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.093  -0.272   0.023  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.384  -3.543   0.484  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.796  -0.021   0.265  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.991   0.882  -0.168  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.364   0.714  -0.409  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.168   1.829  -0.582  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.713   3.096  -0.534  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.395   3.254  -0.304  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.514   2.200  -0.119  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.395  -0.829   0.705  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -1.622  -1.298   1.579  0.00  0.00    +0.148 HD
BRANCH  17  21
ATOM     19  C   LIG    1       -1.986   2.652  -0.739  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -2.005   1.123  -0.703  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -1.818   0.579   0.725  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -3.232   0.667   1.317  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.194   0.449   0.150  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.367   0.567  -1.127  0.00  0.00    +0.005 C 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3