REMARK  Name = BDB027641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.391   1.277  -0.186  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -0.215   2.497   0.182  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.436   2.360   0.845  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -2.072   3.531   1.225  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.617   4.793   1.015  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.440   4.902   0.381  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.996   1.175   1.118  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.340   0.072   0.731  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.289   3.807  -0.049  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.164   0.085   0.084  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.957  -1.232   1.041  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.198  -1.318   1.694  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.744  -2.562   1.969  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -3.150  -3.727   1.645  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -1.960  -3.643   1.019  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -1.339  -2.444   0.703  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     17  C   LIG    1        2.431   0.331  -1.342  0.00  0.00    +0.221 C 
ATOM     18  N   LIG    1        1.615   1.314  -0.876  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1        1.974   2.215  -1.150  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1        3.409   0.704  -2.002  0.00  0.00    -0.275 OA
BRANCH  17  22
ATOM     21  C   LIG    1        3.023  -2.026  -1.984  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        2.200  -1.145  -1.039  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1        2.584  -1.456   0.407  0.00  0.00    +0.017 C 
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 3