REMARK  Name = BDB049305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.140   1.570  -2.078  0.00  0.00    -0.481 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.538   0.347   0.579  0.00  0.00    +0.022 A 
ATOM      3  S   LIG    1        3.419   0.743  -1.082  0.00  0.00    -0.054 S 
ATOM      4  C   LIG    1        1.758   1.160  -0.962  0.00  0.00    +0.159 A 
ATOM      5  C   LIG    1        1.309   0.983   0.334  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        2.326   0.518   1.217  0.00  0.00    +0.017 A 
BRANCH   2   7
ATOM      7  C   LIG    1        4.853  -0.122   1.151  0.00  0.00    +0.165 C 
BRANCH   7   8
ATOM      8  O   LIG    1        4.569  -1.250   2.000  0.00  0.00    -0.371 OA
BRANCH   8  10
ATOM      9  C   LIG    1        5.891  -3.096   1.155  0.00  0.00    +0.034 C 
ATOM     10  C   LIG    1        4.505  -2.496   1.307  0.00  0.00    +0.157 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
BRANCH   7  11
ATOM     11  C   LIG    1        5.496   0.945   2.031  0.00  0.00    +0.157 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.992   2.106   1.228  0.00  0.00    +0.308 C 
ATOM     13  O   LIG    1        5.686   3.276   1.390  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.900   1.762   0.296  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1        7.139   2.615  -0.126  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.213   2.013  -1.964  0.00  0.00    +0.265 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.205   0.872  -1.940  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -2.319   0.926  -1.088  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -3.260  -0.117  -1.055  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1       -3.078  -1.215  -1.906  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.984  -1.272  -2.770  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.055  -0.232  -2.789  0.00  0.00    +0.007 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.412  -0.057  -0.138  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1       -4.307  -0.565   1.182  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -3.028  -1.181   1.689  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.412  -0.497   2.045  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.613   0.062   1.620  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.727   0.562   0.327  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.641   0.512  -0.560  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -5.815   1.066  -1.951  0.00  0.00    +0.044 C 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10