REMARK  Name = BDB028300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.616   0.208  -0.859  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.433  -0.686  -0.793  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.672  -2.042  -0.597  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.609  -2.947  -0.531  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.296  -2.487  -0.656  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.023  -1.121  -0.843  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.058  -2.514  -0.446  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.314  -3.701  -0.277  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -6.034  -1.549  -0.501  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.996  -1.855  -0.396  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.112  -0.229  -0.909  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.837  -0.219  -0.708  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.360  -0.633  -0.959  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.831   0.443  -0.190  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.151   0.886  -0.312  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        2.963   0.231  -1.231  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        2.559  -0.809  -1.996  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        1.275  -1.211  -1.840  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  S   LIG    1        2.718   2.262   0.663  0.00  0.00    -0.088 S 
BRANCH  19  20
ATOM     20  C   LIG    1        4.204   1.605   1.400  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.168   0.467   2.212  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        5.343  -0.029   2.781  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.557   0.615   2.548  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.598   1.757   1.749  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.423   2.253   1.179  0.00  0.00    +0.015 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -4.428   1.703  -1.105  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.974   2.341   0.132  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -4.684   2.184   0.850  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -3.955   3.352  -0.009  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5