REMARK  Name = BDB052211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.884   1.921   0.120  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -1.095   0.554  -0.169  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        0.028  -0.265  -0.234  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1        0.031  -1.613  -0.539  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1        1.360  -2.009  -0.636  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        2.284  -0.950  -0.082  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1        2.768  -1.311   1.327  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1        3.486  -0.785  -0.999  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1        4.100   0.287  -1.035  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1        3.954  -1.985  -1.800  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1        3.178  -3.258  -1.536  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1        3.668  -4.380  -1.609  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1        1.732  -3.124  -1.266  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1        1.333   0.212  -0.035  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        1.533   1.551   0.219  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        0.430   2.403   0.303  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -2.442  -0.055  -0.380  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1       -3.426   0.774  -0.871  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -3.241   1.770  -0.854  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -2.639  -1.238  -0.123  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.805   0.356  -0.955  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.505   0.784   0.285  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -6.347   1.868   0.449  0.00  0.00    +0.200 A 
ATOM     24  O   LIG    1       -6.805   1.939   1.726  0.00  0.00    -0.471 OA
ATOM     25  C   LIG    1       -6.256   0.895   2.399  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -5.453   0.155   1.563  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  27
ATOM     27  C   LIG    1        5.449  -2.186  -1.699  0.00  0.00    +0.148 C 
ATOM     28  O   LIG    1        6.174  -2.067  -2.690  0.00  0.00    -0.296 OA
ATOM     29  C   LIG    1        6.036  -2.505  -0.346  0.00  0.00    +0.087 C 
ENDBRANCH  10  27
BRANCH   1  31
ATOM     30  C   LIG    1       -1.833   4.021   0.766  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -1.993   2.730   0.191  0.00  0.00    -0.494 OA
ENDBRANCH   1  31
BRANCH  15  32
ATOM     32  O   LIG    1        2.765   2.098   0.398  0.00  0.00    -0.506 OA
ATOM     33  H   LIG    1        3.429   1.591  -0.119  0.00  0.00    +0.292 HD
ENDBRANCH  15  32
TORSDOF 6