REMARK  Name = BDB007549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.323   0.163  -0.353  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.363  -0.465   0.411  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.568  -0.633   1.386  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.294   0.174  -1.579  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.775   1.543   0.381  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        3.673   0.959  -0.262  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        2.436   0.821   0.384  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        2.270   1.326   1.677  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.340   1.951   2.312  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.575   2.065   1.664  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.962   1.700  -0.341  0.00  0.00    -0.342 N 
ATOM     12  H   LIG    1        6.027   1.024  -1.104  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        7.255   1.780   0.348  0.00  0.00    +0.129 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.701   0.406   0.864  0.00  0.00    +0.178 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.239  -1.787   0.177  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1        7.878  -0.480  -0.249  0.00  0.00    -0.381 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1       -0.700  -1.280  -0.176  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.705  -0.471  -1.022  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.202  -0.282  -2.354  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.259  -0.012  -2.264  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.064  -1.197  -1.151  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.756  -1.453   0.129  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.338  -0.231   0.719  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.623   0.250   0.077  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.435  -0.627  -0.663  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.638  -0.165  -1.215  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.044   1.154  -1.014  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.251   2.021  -0.266  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.983  -2.042  -0.923  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.048   1.571   0.280  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.818  -2.466  -0.016  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 10