REMARK  Name = BDB000761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.550   0.191  -0.176  0.00  0.00    +0.090 A 
ATOM      2  S   LIG    1        0.746   1.662   0.633  0.00  0.00    -0.062 S 
ATOM      3  C   LIG    1       -0.921   2.055   0.531  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -1.617   1.051  -0.120  0.00  0.00    +0.142 A 
ATOM      5  C   LIG    1       -0.766  -0.022  -0.536  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1        5.761  -1.034   0.219  0.00  0.00    +0.164 A 
ATOM      7  C   LIG    1        5.149   0.090   0.789  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1        3.779   0.356   0.630  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1        2.998  -0.569  -0.083  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        3.589  -1.714  -0.624  0.00  0.00    +0.093 A 
ATOM     11  N   LIG    1        2.674  -2.495  -1.264  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.540  -1.856  -1.131  0.00  0.00    +0.205 A 
ATOM     13  N   LIG    1        1.644  -0.663  -0.429  0.00  0.00    -0.292 N 
ATOM     14  C   LIG    1        4.969  -1.949  -0.481  0.00  0.00    +0.079 A 
BRANCH   6  16
ATOM     15  C   LIG    1        7.772  -2.199  -0.318  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        7.116  -1.152   0.386  0.00  0.00    -0.491 OA
ENDBRANCH   6  16
BRANCH   7  17
ATOM     17  O   LIG    1        5.856   1.048   1.481  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        6.337   0.542   2.726  0.00  0.00    +0.277 C 
ENDBRANCH   7  17
ENDBRANCH   1  13
BRANCH   3  19
ATOM     19  C   LIG    1       -1.444   3.290   1.100  0.00  0.00    +0.252 C 
ATOM     20  O   LIG    1       -2.635   3.581   1.189  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -0.525   4.191   1.570  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        0.469   4.035   1.500  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -0.873   5.064   1.941  0.00  0.00    +0.145 HD
ENDBRANCH   3  19
BRANCH   4  24
ATOM     24  O   LIG    1       -2.952   1.181  -0.322  0.00  0.00    -0.486 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.645  -0.017  -0.665  0.00  0.00    +0.265 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.151   0.196  -0.644  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.023  -0.727  -1.274  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -7.413  -0.507  -1.223  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -7.940   0.591  -0.544  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.088   1.484   0.094  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.707   1.288   0.048  0.00  0.00    +0.007 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -5.494  -1.931  -2.021  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1       -4.563  -2.627  -1.306  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.453  -2.840  -2.354  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.881  -1.591  -3.189  0.00  0.00    -0.166 F 
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8