REMARK  Name = BDB063915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.020  -2.499   3.513  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.612  -1.895   2.542  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.376  -1.055   1.578  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.700  -0.885   1.684  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.515  -0.549   0.628  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.350  -1.023   0.958  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.351  -1.810   2.053  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.463  -2.234   2.481  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.558  -0.094   0.787  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.127   1.113   0.214  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.015   1.832  -0.606  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.315   1.388  -0.856  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.074   2.202  -1.683  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.358   3.240  -2.048  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.742   0.186  -0.263  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.760   3.319  -1.441  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.864  -0.538   0.555  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.778  -0.741   0.253  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.532  -0.245  -0.601  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -1.951  -1.608   0.129  0.00  0.00    +0.098 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.820  -1.117  -1.051  0.00  0.00    +0.028 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.362   0.318  -0.967  0.00  0.00    -0.009 C 
ATOM     23  C   LIG    1       -3.941   0.776  -2.308  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.732   2.019  -1.937  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.347   1.693  -0.581  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.543   0.521  -0.014  0.00  0.00    +0.003 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.742  -1.703   1.448  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.147  -2.663   2.334  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1       -2.494  -3.539   2.084  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 7