REMARK  Name = BDB019810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.417  -0.477   1.842  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.332   0.685   1.450  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -1.313   1.633   1.682  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.346   2.483   1.110  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.866   1.118   0.680  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.007   2.404   0.161  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1        0.050   3.328   0.333  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        2.144   2.766  -0.556  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        3.162   1.833  -0.761  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.058   0.526  -0.254  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        1.898   0.187   0.467  0.00  0.00    +0.024 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.131  -0.459  -0.471  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        3.849  -1.731  -1.005  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        4.866  -2.666  -1.212  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        6.175  -2.337  -0.887  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        7.151  -3.233  -1.085  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        6.486  -1.092  -0.357  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.468  -0.157  -0.151  0.00  0.00    +0.011 A 
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1       -2.664   1.135   2.157  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.845   1.251   3.159  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -4.006   1.638   1.232  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -3.484   2.473   0.168  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -4.969   2.118   2.199  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.613   0.152   0.523  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1       -5.831   0.211  -0.144  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1       -6.505   1.364  -0.252  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -6.373  -0.933  -0.723  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -5.688  -2.146  -0.633  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.463  -2.208   0.034  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.920  -1.059   0.615  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5