REMARK  Name = BDB023109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.438   0.247  -0.221  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.649   0.342   0.965  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.278   0.381   0.799  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.279   0.540   2.047  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.786   0.545   2.916  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.341   0.296  -0.461  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.386   0.226  -1.541  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.976   0.408   2.243  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.758   0.208  -1.389  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.360   0.984  -1.159  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.041   0.531  -0.658  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.968  -0.411   0.286  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.644  -0.563   0.512  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.244  -1.567   1.473  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.863   0.249  -0.281  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.760   0.967  -1.052  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -0.738   0.673   4.341  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -0.667   0.770   5.497  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.714   0.316  -0.563  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.950   0.496  -1.540  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.473  -0.861  -0.149  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.925  -0.515  -0.067  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        4.720  -0.392  -1.194  0.00  0.00    +0.174 A 
ATOM     24  O   LIG    1        4.311  -0.569  -2.482  0.00  0.00    -0.452 OA
ATOM     25  C   LIG    1        5.538  -0.312  -3.200  0.00  0.00    +0.466 C 
ATOM     26  O   LIG    1        6.647   0.009  -2.338  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        6.055  -0.058  -1.116  0.00  0.00    +0.167 A 
ATOM     28  C   LIG    1        6.680   0.177   0.090  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        5.908   0.068   1.248  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.549  -0.271   1.161  0.00  0.00    +0.132 A 
ATOM     31  F   LIG    1        3.838  -0.364   2.294  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5