REMARK  Name = BDB045925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.486   0.777   1.892  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -2.540   0.730   0.998  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -2.309   0.658   0.016  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.547   1.003   3.094  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        2.429   0.196   0.194  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.337  -0.538  -0.290  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.057  -0.362   0.250  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -0.143   0.559   1.282  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.946   1.278   1.783  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.223   1.101   1.237  0.00  0.00    +0.024 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.891   0.567  -0.116  0.00  0.00    +0.217 C 
ATOM     12  N   LIG    1        3.680  -0.043  -0.410  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        3.694  -0.738  -1.145  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1        5.084   1.437   0.724  0.00  0.00    -0.275 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.012   0.015  -0.987  0.00  0.00    +0.096 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.354   0.691  -0.710  0.00  0.00    +0.009 C 
BRANCH  16  17
ATOM     17  C   LIG    1        8.469   0.244  -1.659  0.00  0.00    +0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1        9.254  -1.750  -0.271  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        8.802  -1.250  -1.635  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -3.915   0.863   1.286  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.798   0.847   0.197  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -6.185   0.963   0.378  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1       -6.683   1.109   1.677  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.813   1.122   2.766  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.435   0.996   2.572  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.122   0.935  -0.809  0.00  0.00    +0.049 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -7.638  -0.456  -1.226  0.00  0.00    +0.099 C 
ATOM     28  C   LIG    1       -8.408  -1.155  -0.104  0.00  0.00    +0.019 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.526  -1.311  -1.804  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -5.553  -0.911  -2.426  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.724  -2.635  -1.662  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -5.954  -3.045  -2.107  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 11