REMARK  Name = BDB036869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.042  -0.884   1.041  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1       -0.800  -0.933   1.583  0.00  0.00    +0.076 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.331   0.179   0.042  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1       -2.058  -0.024  -1.317  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.313   0.988  -2.245  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.848   2.204  -1.823  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.126   2.413  -0.472  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.867   1.405   0.458  0.00  0.00    +0.010 A 
ENDBRANCH   1   3
BRANCH   2   9
ATOM      9  C   LIG    1        0.249   0.041   1.164  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.091  -0.331   0.115  0.00  0.00    -0.289 N 
ATOM     11  C   LIG    1        1.263  -1.724  -0.291  0.00  0.00    +0.133 C 
ATOM     12  O   LIG    1        0.321   1.131   1.733  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.112   0.647  -0.290  0.00  0.00    +0.163 C 
ATOM     14  C   LIG    1        2.354   0.713  -1.809  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        1.547   0.341  -2.660  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        3.546   1.281  -2.199  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.702   1.331  -3.196  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.622   1.605  -1.411  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.678   1.983  -1.909  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        4.419   1.516   0.083  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        3.436   0.413   0.441  0.00  0.00    +0.041 C 
ENDBRANCH  10  13
ENDBRANCH   2   9
BRANCH   1  23
ATOM     22  C   LIG    1       -4.365  -1.813   0.615  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1       -3.101  -1.750   1.329  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1       -2.818  -2.650   1.706  0.00  0.00    +0.146 HD
ENDBRANCH   1  23
BRANCH   2  25
ATOM     25  C   LIG    1       -0.490  -1.892   2.667  0.00  0.00    +0.116 C 
ATOM     26  N   LIG    1        0.704  -2.262   2.998  0.00  0.00    -0.307 NA
ATOM     27  H   LIG    1        0.657  -2.919   3.786  0.00  0.00    +0.186 HD
ENDBRANCH   2  25
TORSDOF 5