REMARK  Name = BDB002907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.397   0.385  -0.065  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1        0.172   0.468  -0.474  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.101   0.147  -1.901  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.371   0.327  -2.442  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.605   0.034  -3.796  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.573  -0.445  -4.603  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.697  -0.629  -4.064  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.484   0.838  -1.621  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1       -3.542   1.137  -2.167  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.264   0.981  -0.139  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        0.934  -0.334  -2.720  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.018   0.844   0.340  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        1.836   0.706   1.458  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        1.587   2.107   1.739  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        1.286  -0.316   2.328  0.00  0.00    -0.146 OA
BRANCH  13  19
ATOM     16  C   LIG    1        6.378   0.169   1.394  0.00  0.00    -0.048 A 
ATOM     17  C   LIG    1        5.796   1.365   0.945  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.411   1.528   0.963  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        3.601   0.485   1.423  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        4.164  -0.710   1.875  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        5.551  -0.866   1.854  0.00  0.00    +0.005 A 
BRANCH  16  23
ATOM     22  C   LIG    1        8.343  -0.599   0.037  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        7.875  -0.009   1.359  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1       -3.326   1.366   0.673  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -3.039   1.737   1.576  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.600   0.759   0.776  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -4.975  -0.400   0.086  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -6.267  -0.929   0.208  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -7.213  -0.295   1.018  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -6.859   0.872   1.699  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -5.567   1.393   1.572  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.592  -0.815   1.177  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -9.468  -0.317   1.860  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -8.812  -1.942   0.476  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -9.747  -2.159   0.671  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 7