REMARK  Name = BDB033586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.511   0.496  -1.041  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.718   0.274  -0.368  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.971   1.476   0.264  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.086   1.732   1.051  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.992   0.671   1.181  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        2.770  -0.588   0.592  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.760  -1.707   0.791  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        3.176  -3.044   0.361  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        2.462  -2.863  -0.965  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        1.347  -1.976  -0.839  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.037   2.346  -0.007  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.632  -0.785  -0.218  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -0.970   1.732  -0.825  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.149  -0.467  -1.810  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -0.792  -1.420  -1.766  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.732  -0.359  -2.333  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -3.088  -1.686  -2.804  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.805   0.774  -3.232  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -4.630   0.947  -0.791  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.675  -0.072  -0.862  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.468  -0.895   0.256  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.160  -0.657   1.448  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -5.106   0.363   1.514  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -5.353   1.150   0.392  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.479   3.026  -1.782  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.978   1.690  -1.885  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -2.544  -1.908   0.225  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.187  -3.186   0.231  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  O   LIG    1        4.107   0.849   1.971  0.00  0.00    -0.410 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.114   1.603   1.539  0.00  0.00    +0.401 A 
ATOM     31  O   LIG    1        5.088   2.076   0.257  0.00  0.00    -0.417 OA
ATOM     32  C   LIG    1        6.255   2.774   0.153  0.00  0.00    +0.220 A 
ATOM     33  C   LIG    1        6.914   2.680   1.354  0.00  0.00    +0.156 A 
ATOM     34  N   LIG    1        6.182   1.925   2.235  0.00  0.00    -0.183 NA
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7