REMARK  Name = BDB048777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.193   1.026   1.268  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.873   1.427  -0.041  0.00  0.00    +0.097 C 
BRANCH   2   7
ATOM      3  C   LIG    1        4.152  -0.069  -0.372  0.00  0.00    +0.109 A 
ATOM      4  S   LIG    1        3.470  -1.371  -1.272  0.00  0.00    -0.072 S 
ATOM      5  C   LIG    1        1.913  -0.674  -1.136  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.731  -1.351  -1.736  0.00  0.00    +0.053 C 
ATOM      7  C   LIG    1        1.991   0.501  -0.411  0.00  0.00    +0.055 A 
ATOM      8  N   LIG    1        3.269   0.837   0.011  0.00  0.00    -0.244 NA
BRANCH   3  13
ATOM      9  C   LIG    1        9.803   0.419   0.914  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        8.353   0.292   0.551  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        7.881  -0.853  -0.098  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.521  -0.987  -0.409  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        5.597   0.014  -0.072  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        6.085   1.151   0.595  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        7.442   1.288   0.907  0.00  0.00    +0.004 A 
ENDBRANCH   3  13
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.625  -0.138   1.112  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.906   0.002   0.655  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.613  -1.202   0.564  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.921  -1.184   0.106  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -4.827  -2.354  -0.108  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -6.191  -1.656  -0.179  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.936  -0.250  -0.774  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.539   0.012  -0.271  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -3.844   1.209  -0.204  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.524   1.200   0.269  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.970   0.781  -0.320  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -8.337   0.504  -0.895  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -8.581  -0.290  -1.788  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -9.300   1.267  -0.326  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -8.971   1.870   0.368  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8