REMARK  Name = BDB048757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.211  -1.873  -2.417  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        1.890   0.764  -4.212  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        2.532   0.286  -2.958  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.258  -0.825  -2.181  0.00  0.00    +0.055 A 
ATOM      5  N   LIG    1        3.081  -0.969  -1.075  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1        3.942   0.027  -0.983  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        3.811   1.181  -2.254  0.00  0.00    -0.072 S 
BRANCH   6   8
ATOM      8  C   LIG    1        4.928   0.160   0.110  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        5.940   1.137   0.123  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        6.811   1.171   1.195  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1        7.837   2.052   1.351  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        8.377   1.617   2.617  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        7.673   0.494   3.186  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        6.720   0.285   2.240  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1        5.750  -0.690   2.274  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        4.854  -0.747   1.200  0.00  0.00    +0.014 A 
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.210  -1.382  -2.137  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.392  -1.233  -0.729  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.585  -0.712  -0.305  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -2.702  -0.468  -1.108  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -3.838   0.067  -0.517  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.148   0.379  -1.169  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -5.791   1.298  -0.120  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -5.232   0.876   1.260  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -3.884   0.340   0.854  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -2.788   0.097   1.662  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -1.636  -0.431   1.072  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.074  -0.199   1.950  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.354   0.366   2.500  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -7.713   1.530   2.502  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.133  -0.590   3.043  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -8.919  -0.104   3.370  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8