REMARK  Name = BDB032724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.493   1.616   0.869  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        2.273   0.459   1.005  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.549   0.477   0.473  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        4.569  -0.577   0.486  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        5.664  -0.084  -0.206  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        5.474   1.298  -0.633  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.458  -1.654   1.038  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        4.080   1.587  -0.181  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        3.323   2.733  -0.331  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        2.023   2.741   0.193  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.948  -0.778  -0.231  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        7.802  -0.518  -1.482  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        7.364  -0.075  -2.542  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        9.134  -0.848  -1.376  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        9.693  -0.672  -2.200  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        9.844  -1.074  -0.224  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       11.069  -1.127  -0.237  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        9.038  -1.284   1.035  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.767  -0.450   1.019  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.084   1.644   1.406  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.751   0.962   0.467  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -2.746   0.257  -0.147  0.00  0.00    -0.250 N 
ATOM     23  H   LIG    1       -2.163  -0.091  -0.895  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.062   0.942   0.815  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -2.510   1.460   1.825  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -6.847  -0.576  -0.378  0.00  0.00    +0.047 A 
ATOM     27  N   LIG    1       -6.380   0.135   0.681  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1       -5.051   0.403   0.753  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -4.125  -0.006  -0.196  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1       -4.614  -0.735  -1.277  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -5.978  -1.023  -1.372  0.00  0.00    +0.026 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -8.736  -1.629   0.875  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -8.355  -0.844  -0.396  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -8.841  -1.654  -1.615  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -9.100   0.506  -0.398  0.00  0.00    +0.017 C 
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6