REMARK  Name = BDB049249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.225  -0.148  -1.966  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.137  -1.379  -2.626  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.143  -2.298  -2.280  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.777  -2.008  -1.269  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.696  -0.783  -0.607  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.301   0.139  -0.951  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.294   0.852  -2.343  0.00  0.00    +0.070 C 
BRANCH   7  11
ATOM      8  C   LIG    1       -5.468   1.407   0.554  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -5.194   0.140   0.036  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.163  -0.050  -0.888  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.380   1.033  -1.308  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -3.657   2.304  -0.784  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -4.693   2.490   0.141  0.00  0.00    +0.046 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -6.517   1.442   1.425  0.00  0.00    -0.478 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -7.788   3.489   1.231  0.00  0.00    +0.064 C 
ATOM     16  C   LIG    1       -6.834   2.667   2.094  0.00  0.00    +0.278 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -7.529   2.320   3.408  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1       -7.873   1.220   3.810  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -7.750   3.409   4.179  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1       -8.189   3.038   4.976  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  O   LIG    1        1.702  -2.989  -1.056  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.605  -2.867   0.047  0.00  0.00    +0.287 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.891  -2.201  -0.301  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1        5.026  -2.406   0.459  0.00  0.00    -0.211 NA
ATOM     25  C   LIG    1        5.957  -1.688  -0.144  0.00  0.00    +0.227 A 
ATOM     26  O   LIG    1        5.505  -1.004  -1.245  0.00  0.00    -0.443 OA
ATOM     27  C   LIG    1        4.191  -1.340  -1.331  0.00  0.00    +0.224 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.366  -1.521   0.208  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        7.876  -2.165   1.344  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        9.218  -2.022   1.707  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       10.066  -1.225   0.942  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.577  -0.581  -0.192  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.236  -0.731  -0.558  0.00  0.00    +0.013 A 
ENDBRANCH  25  28
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 10