REMARK  Name = BDB029260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.835   0.550   0.511  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -2.066  -0.018   1.918  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.879  -0.950   2.072  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.221  -0.147   1.382  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.408   0.458   0.235  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.643  -0.975  -2.076  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -4.282  -0.925  -1.748  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -3.084  -1.529  -2.222  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -2.043  -1.052  -1.453  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -2.563  -0.182  -0.522  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -3.925  -0.097  -0.694  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -4.756   0.654   0.045  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -6.031   0.524  -0.359  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -6.513  -0.232  -1.365  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -6.158  -1.741  -3.113  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.522  -1.888  -3.884  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.090  -1.425  -3.355  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.982   1.015   2.916  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.724   0.548   3.738  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -0.605  -1.222   3.443  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.266  -1.675   3.451  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        1.414  -1.031   0.978  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.607  -0.220   0.509  0.00  0.00    -0.013 A 
ATOM     24  C   LIG    1        3.450   0.424   1.432  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        4.520   1.149   0.951  0.00  0.00    +0.124 A 
ATOM     26  O   LIG    1        5.412   1.824   1.742  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.471   2.189   0.826  0.00  0.00    +0.234 C 
ATOM     28  C   LIG    1        5.928   2.175  -0.604  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        4.771   1.276  -0.405  0.00  0.00    -0.002 A 
ATOM     30  C   LIG    1        3.949   0.672  -1.338  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        2.866  -0.082  -0.874  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  O   LIG    1        1.799  -1.867   2.080  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        2.717  -2.148   1.907  0.00  0.00    +0.210 HD
ENDBRANCH  22  32
ENDBRANCH   4  22
TORSDOF 7