REMARK  Name = BDB012925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.025  -1.446  -1.181  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.394  -0.416  -0.507  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.682   0.324  -1.154  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.065   1.419  -0.150  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.741   0.763   1.189  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.528  -0.022   0.885  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.626  -1.792  -2.294  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.898  -2.970   0.521  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.596  -3.880  -0.410  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.563  -3.336  -1.071  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.168  -3.832  -1.864  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.139  -2.131  -0.571  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.023  -1.857   0.454  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.142  -2.149   1.282  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.048  -3.204   1.460  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -4.583  -3.254   2.917  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.447   1.846  -0.243  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        3.152   1.356   0.301  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.878   2.662  -1.276  0.00  0.00    +0.224 C 
ATOM     20  O   LIG    1        2.070   3.131  -2.081  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.432   2.901  -1.328  0.00  0.00    +0.090 C 
ATOM     22  C   LIG    1        5.139   3.126   0.026  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1        5.535   1.726   0.069  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1        5.296   1.622  -1.364  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1        4.832   3.930  -2.383  0.00  0.00    +0.025 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4