REMARK  Name = BDB063914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.631   3.642  -2.610  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.453   2.501  -2.234  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.299   1.668  -1.335  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.429   2.134  -0.790  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.730   0.419  -1.204  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.352   0.475  -1.920  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.568   1.660  -2.532  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.309   1.897  -3.166  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.336   1.397   0.104  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.859   0.502   1.076  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.782  -0.141   1.920  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.155   0.094   1.830  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.941  -0.610   2.728  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.172  -1.364   3.481  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.620   1.007   0.864  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.490  -1.283   3.178  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.708   1.651   0.018  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.198  -0.578  -2.048  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.914  -1.344  -1.440  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -2.643  -0.473  -2.247  0.00  0.00    +0.098 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.363   0.021  -0.983  0.00  0.00    +0.028 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.226  -0.904   0.223  0.00  0.00    -0.009 C 
ATOM     23  C   LIG    1       -1.915  -0.857   1.058  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -2.792  -1.029   2.314  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -3.941  -0.393   1.507  0.00  0.00    +0.003 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
BRANCH  20  26
ATOM     26  C   LIG    1       -3.170  -1.827  -2.759  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.567  -2.133  -4.017  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -1.613  -1.952  -3.913  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 7