REMARK  Name = BDB029271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.762   1.268  -1.135  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.015   1.996  -0.016  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.156   1.065   0.251  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.469   0.537  -1.149  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.188   0.428  -1.826  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.168   0.356   0.676  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -3.896  -0.011   0.198  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.172  -1.221   0.002  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -1.933  -0.898  -0.509  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -1.874   0.466  -0.641  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -3.056   1.019  -0.209  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -3.323   2.337  -0.185  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -4.557   2.579   0.284  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1       -5.473   1.688   0.706  0.00  0.00    -0.239 NA
BRANCH   6  16
ATOM     15  C   LIG    1       -6.729  -1.527   0.069  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -6.245  -0.585   1.171  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -5.802  -1.355   2.414  0.00  0.00    +0.014 C 
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        0.506   3.266  -0.468  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -0.264   3.855  -0.581  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        2.236   1.776   0.848  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        2.210   2.671   0.450  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.182  -0.831  -1.204  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.683  -0.756  -1.009  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.245  -0.633   0.274  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        5.615  -0.568   0.372  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        6.758  -0.437   1.334  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1        7.689  -0.498   0.078  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        6.430  -0.617  -0.729  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        5.929  -0.733  -2.002  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.538  -0.802  -2.139  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1        1.602  -1.763  -0.281  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        2.260  -2.467  -0.144  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7