REMARK  Name = BDB046353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.103  -0.981   0.360  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.407  -0.682  -0.140  0.00  0.00    -0.492 OA
BRANCH   2   5
ATOM      3  C   LIG    1       -5.821   0.026   0.903  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1       -4.668  -0.221   0.141  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.428  -0.469   0.743  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.335  -0.469   2.133  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -4.470  -0.227   2.909  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -5.702   0.019   2.299  0.00  0.00    +0.009 A 
BRANCH   3  12
ATOM      9  O   LIG    1      -10.376   1.824  -0.618  0.00  0.00    -0.260 OA
ATOM     10  C   LIG    1       -9.327   1.228  -0.451  0.00  0.00    +0.291 A 
ATOM     11  S   LIG    1       -8.136   1.591   0.799  0.00  0.00    -0.023 S 
ATOM     12  C   LIG    1       -7.104   0.293   0.243  0.00  0.00    +0.084 A 
ATOM     13  C   LIG    1       -7.658  -0.334  -0.808  0.00  0.00    +0.208 A 
ATOM     14  N   LIG    1       -8.864   0.165  -1.189  0.00  0.00    -0.287 N 
ATOM     15  H   LIG    1       -9.425  -0.174  -1.954  0.00  0.00    +0.172 HD
BRANCH  13  16
ATOM     16  O   LIG    1       -7.141  -1.388  -1.492  0.00  0.00    -0.493 OA
ATOM     17  H   LIG    1       -7.782  -1.645  -2.171  0.00  0.00    +0.294 HD
ENDBRANCH  13  16
ENDBRANCH   3  12
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.316   0.292   0.671  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.095   1.160  -0.568  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.664   0.471  -1.562  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.029   0.509  -1.504  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        2.668  -0.152  -2.558  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.061  -0.203  -2.630  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.826   0.397  -1.633  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        4.199   1.077  -0.587  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        2.801   1.125  -0.520  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  O   LIG    1        6.193   0.343  -1.774  0.00  0.00    -0.456 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.930   0.021  -0.657  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        6.633  -1.081   0.149  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        7.443  -1.374   1.247  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.553  -0.578   1.528  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.861   0.509   0.709  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        8.053   0.804  -0.390  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10