REMARK  Name = BDB003494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.355  -0.606  -0.758  0.00  0.00    -0.017 C 
ATOM      2  C   LIG    1       -2.491  -0.291  -0.092  0.00  0.00    -0.012 C 
ATOM      3  C   LIG    1       -3.183   1.015  -0.248  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1       -4.575   1.025  -0.461  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -5.250   2.242  -0.608  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -4.559   3.452  -0.511  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.181   3.462  -0.255  0.00  0.00    +0.055 A 
ATOM      8  S   LIG    1       -5.536  -0.488  -0.518  0.00  0.00    -0.088 S 
ATOM      9  C   LIG    1       -4.551  -1.549   0.541  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.199  -2.571   1.246  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.479  -3.409   2.098  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.106  -3.228   2.255  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.449  -2.217   1.551  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.509   2.238  -0.106  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.158  -1.381   0.674  0.00  0.00    -0.004 A 
ENDROOT
BRANCH   7  16
ATOM     16  C   LIG    1       -2.435   4.765  -0.099  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -2.985   5.786  -0.813  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -1.137   4.685  -0.505  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -2.398   5.188   1.194  0.00  0.00    -0.166 F 
ENDBRANCH   7  16
BRANCH   1  20
ATOM     20  C   LIG    1       -0.568   0.212  -1.753  0.00  0.00    +0.043 C 
BRANCH  20  21
ATOM     21  C   LIG    1        0.758   0.773  -1.199  0.00  0.00    +0.088 C 
BRANCH  21  25
ATOM     22  N   LIG    1        4.085  -1.161   0.426  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        3.823   0.280   0.235  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1        3.196   0.649  -1.130  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1        1.942  -0.066  -1.457  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        1.879  -1.363  -0.752  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1        3.273  -1.976  -0.502  0.00  0.00    +0.100 C 
BRANCH  22  28
ATOM     28  C   LIG    1        5.508  -1.531   0.328  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.377  -1.010   1.489  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  O   LIG    1        6.878   0.302   1.249  0.00  0.00    -0.394 OA
ATOM     31  H   LIG    1        7.388   0.273   0.422  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7