REMARK  Name = BDB029842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616  -0.350   0.392  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.327   0.016   1.336  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.078   0.636   2.112  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.286  -0.777  -0.712  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.402  -0.487   0.081  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -3.022  -0.611  -0.186  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -2.053  -0.199   0.747  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -2.473   0.337   1.961  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.575   0.745   2.873  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.833   0.454   2.240  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1       -4.355   1.103   3.751  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1       -4.798   0.044   1.312  0.00  0.00    +0.050 A 
BRANCH   5  15
ATOM     13  C   LIG    1       -7.629  -0.064  -0.123  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1       -6.718  -0.813  -1.019  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -5.333  -0.928  -0.910  0.00  0.00    -0.217 N 
ATOM     16  N   LIG    1       -4.871  -1.605  -1.994  0.00  0.00    -0.153 NA
ATOM     17  C   LIG    1       -5.981  -1.904  -2.659  0.00  0.00    +0.245 A 
ATOM     18  N   LIG    1       -7.128  -1.447  -2.102  0.00  0.00    -0.219 NA
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.756   0.199   0.805  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.814  -0.161  -0.163  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.295   1.809   0.847  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.613   2.438   1.963  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.165   2.342  -0.490  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.023   1.653   1.270  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.934   0.762   0.417  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        4.861  -0.730   0.776  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        5.859  -1.527  -0.060  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        5.631  -1.312  -1.452  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.807   0.054  -1.828  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        4.803   0.941  -1.099  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6