REMARK  Name = BDB048610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.497   1.551  -2.351  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.010   0.956  -1.064  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1        0.902   1.679   0.132  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.369   1.146   1.335  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.967  -0.120   1.365  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        2.095  -0.836   0.171  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.631  -0.299  -1.033  0.00  0.00    +0.004 A 
BRANCH   5   8
ATOM      8  C   LIG    1        2.472  -0.691   2.670  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.774  -0.015   3.122  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.549   0.691   4.461  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        2.742   1.588   4.654  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        4.362   0.209   5.437  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.910  -0.506   5.033  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        4.821  -0.993   3.343  0.00  0.00    -0.365 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.486  -1.355   2.131  0.00  0.00    +0.157 C 
ATOM     16  C   LIG    1        6.569  -2.360   2.468  0.00  0.00    +0.034 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.423   0.667  -3.212  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.761   0.228  -2.582  0.00  0.00    +0.206 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.593   1.392  -2.072  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -2.677   1.698  -0.706  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.452   2.769  -0.261  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.154   3.549  -1.177  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.080   3.260  -2.538  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.304   2.189  -2.984  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  O   LIG    1       -1.490  -0.754  -1.555  0.00  0.00    -0.466 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.295  -1.823  -1.350  0.00  0.00    +0.229 C 
ATOM     27  S   LIG    1       -1.544  -3.172  -0.735  0.00  0.00    +0.006 S 
BRANCH  26  28
ATOM     28  N   LIG    1       -3.626  -1.660  -1.639  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1       -3.935  -0.701  -1.730  0.00  0.00    +0.149 HD
BRANCH  28  31
ATOM     30  C   LIG    1       -5.978  -2.250  -2.001  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -4.667  -2.630  -1.338  0.00  0.00    +0.101 C 
ENDBRANCH  28  31
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14