REMARK  Name = BDB063977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.772  -3.831   1.811  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.481  -2.756   1.327  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.376  -1.696   0.788  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.707  -1.838   0.771  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.614  -0.624   0.376  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.612  -0.978   0.620  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.750  -2.213   1.152  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.590  -2.654   1.478  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.690  -0.855   0.285  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.934  -0.787   0.935  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.899   0.122   0.465  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.663   0.947  -0.636  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.707   1.789  -0.985  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.711   1.603  -0.159  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.420   0.858  -1.290  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.486   0.429   1.066  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.451  -0.044  -0.827  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.672  -0.174   0.364  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.399   0.706  -0.064  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.019  -0.620   0.037  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.956   0.576   0.127  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -3.925   1.619  -0.815  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.785   2.713  -0.699  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.684   2.786   0.362  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.721   1.767   1.311  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.862   0.672   1.197  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.070  -1.325  -1.329  0.00  0.00    +0.240 C 
ATOM     28  F   LIG    1       -4.279  -1.933  -1.483  0.00  0.00    -0.247 F 
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5