REMARK  Name = BDB008552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.067   0.812   0.308  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.502   1.977  -0.523  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        2.152  -1.306   0.664  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        1.687  -2.368   1.462  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        0.352  -2.386   1.867  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.517  -1.360   1.484  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.077  -0.291   0.686  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        1.272  -0.281   0.287  0.00  0.00    +0.055 A 
BRANCH   4   9
ATOM      9  O   LIG    1        2.611  -3.329   1.789  0.00  0.00    -0.491 OA
ATOM     10  C   LIG    1        2.171  -4.427   2.575  0.00  0.00    +0.277 C 
ENDBRANCH   4   9
BRANCH   3  11
ATOM     11  O   LIG    1        3.478  -1.360   0.310  0.00  0.00    -0.488 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.988  -0.353  -0.559  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.452  -0.668  -0.836  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.082   0.360  -1.763  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.104   0.922  -2.837  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        7.446   0.004  -1.975  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1       -2.287   0.256  -0.353  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -3.579   0.307   0.210  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -4.575  -0.137  -0.373  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.767   0.958   1.612  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -4.903   0.494   2.345  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -6.162   0.998   1.880  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -6.091   2.332   1.122  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -5.032   3.194   1.648  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.016   4.080   1.145  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.736   2.508   1.514  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.035  -0.393  -1.647  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.818  -1.552  -2.196  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -2.922  -0.197  -2.845  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 10