REMARK  Name = BDB019813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.517  -1.515   3.016  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.377  -0.800   1.705  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1       -1.113  -0.421   1.243  0.00  0.00    +0.141 A 
ATOM      4  F   LIG    1       -0.046  -0.731   1.996  0.00  0.00    -0.204 F 
ATOM      5  C   LIG    1       -0.949   0.254   0.032  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1       -2.090   0.565  -0.717  0.00  0.00    +0.146 A 
ATOM      7  F   LIG    1       -1.969   1.245  -1.868  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1       -3.383   0.214  -0.282  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.504  -0.473   0.941  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.584   0.547  -1.072  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -4.671   0.220  -2.436  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.814   0.525  -3.181  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.891   1.165  -2.575  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.827   1.500  -1.226  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.684   1.194  -0.482  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   5  16
ATOM     16  C   LIG    1        0.392   0.637  -0.477  0.00  0.00    +0.264 C 
ATOM     17  N   LIG    1        1.454   0.586   0.414  0.00  0.00    -0.228 N 
ATOM     18  H   LIG    1        1.397  -0.003   1.250  0.00  0.00    +0.171 HD
ATOM     19  O   LIG    1        0.572   0.974  -1.645  0.00  0.00    -0.269 OA
BRANCH  17  20
ATOM     20  N   LIG    1        2.853   0.646  -0.231  0.00  0.00    -0.108 NA
ATOM     21  H   LIG    1        2.756   0.892  -1.230  0.00  0.00    +0.172 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.718  -0.829  -0.129  0.00  0.00    +0.074 S 
ATOM     23  O   LIG    1        3.720  -1.415  -1.451  0.00  0.00    -0.152 OA
ATOM     24  O   LIG    1        3.214  -1.547   1.025  0.00  0.00    -0.152 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.349  -0.245   0.242  0.00  0.00    +0.107 A 
ATOM     26  C   LIG    1        5.676   0.080   1.562  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        6.966   0.520   1.861  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.920   0.625   0.847  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.591   0.288  -0.468  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.304  -0.153  -0.775  0.00  0.00    +0.028 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   5  16
TORSDOF 5