REMARK  Name = BDB063933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205  -0.048   1.243  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.554  -1.136   1.965  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.419  -1.308   2.443  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.500  -1.990   2.010  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.581  -3.065   2.567  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.526  -1.271   1.206  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.736  -1.793   0.974  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.006  -0.070   0.772  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.818  -1.182   0.185  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.067   0.199   0.201  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.141   0.707  -0.552  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.973  -0.123  -1.305  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.989   0.518  -1.995  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.923   1.810  -1.766  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.726  -1.509  -1.301  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.669   2.338  -0.728  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.657  -2.023  -0.554  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.053   0.991   1.030  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.658   1.651   0.363  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.513   0.909   1.013  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.098   2.292   1.317  0.00  0.00    +0.235 C 
ATOM     22  F   LIG    1       -4.415   2.175   1.632  0.00  0.00    -0.247 F 
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.961   0.324  -0.345  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.178   1.231  -1.206  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.478   0.078  -0.481  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -4.737  -1.220  -1.255  0.00  0.00    +0.007 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6