REMARK  Name = BDB048304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.599   0.773  -0.788  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.893   1.924  -1.499  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.977   0.799  -1.219  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.716   1.113   1.919  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.660  -0.056   1.141  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -4.742  -0.191   0.084  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -3.864   0.876  -0.173  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -3.928   2.052   0.582  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.841   2.164   1.630  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.729  -1.416  -0.730  0.00  0.00    +0.023 A 
ATOM     11  S   LIG    1       -4.625  -2.957   0.024  0.00  0.00    -0.097 S 
ATOM     12  C   LIG    1       -4.641  -3.772  -1.478  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -4.717  -2.899  -2.539  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -4.765  -1.542  -2.107  0.00  0.00    +0.016 A 
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -6.122   0.673   4.353  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.698   1.223   3.058  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -1.036  -0.609  -1.157  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.384  -0.863  -0.657  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.307  -0.132  -1.460  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.631  -0.219  -1.130  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.177  -1.001  -0.111  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.564  -1.005   0.138  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.098  -1.879   1.241  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.414  -0.219  -0.665  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.853   0.565  -1.686  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.477   0.562  -1.914  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.912  -0.162  -0.455  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.306   0.986   0.472  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.791   1.018   0.686  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        9.625   0.254   0.230  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.162   2.036   1.487  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       10.137   1.951   1.548  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12