REMARK  Name = BDB036451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.835   1.281  -0.600  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.480   0.850  -0.287  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.842   1.643   0.781  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.070   1.575   1.431  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        2.991   0.615   0.976  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.645  -0.189  -0.123  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1       -0.181   2.484   1.086  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.395  -0.100  -0.773  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -1.240   2.253   0.224  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.596   0.741  -1.626  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.244  -0.098  -2.084  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.238   0.983  -1.813  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.433   2.395  -2.069  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.679  -0.001  -2.786  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.583  -0.720   0.311  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.944   0.510  -0.259  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.862   1.327   0.407  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.396   0.925   1.639  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.993  -0.274   2.224  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.084  -1.095   1.563  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.347  -2.721  -0.814  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.690  -1.554  -0.313  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.361   2.468  -0.159  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.830   3.634   0.475  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.254   0.581   1.611  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        4.227   1.042   2.519  0.00  0.00    +0.146 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.413  -0.244   1.473  0.00  0.00    +0.070 C 
ATOM     28  C   LIG    1        6.021  -0.365   0.066  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        6.265  -1.859   0.374  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.187  -1.765   1.477  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        0.993  -0.870  -1.833  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1        1.970  -1.717  -2.427  0.00  0.00    +0.277 C 
ENDBRANCH   8  31
TORSDOF 8