
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.6674    1.5926    4.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3813   -0.7901    4.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435    1.6648    3.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -0.7218    3.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    0.3626    5.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7269    0.5153    2.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1357    0.9461    7.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -0.1631    0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213   -0.9517    1.6309 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030   -0.9445   -0.2605 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397    0.5664    0.1223 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    0.4080    8.3725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992    0.1754    6.3613 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    0.7300    1.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582    2.3470    6.7777 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222    2.5249    4.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749   -1.7698    4.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463    2.6379    2.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318   -1.6508    2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0119   -0.5121    8.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931    0.8666    8.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156   -0.7386    6.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  2  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13  5  1  0  0  0  0
 13 22  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
M  END
>  <ID>
Z1741960769

>  <Barcode>
0110770237

>  <Well>
C11

>  <Plate_ID>
816280-08

>  <MW>
236.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	13
3	C	15
4	C	14
5	C	10
6	C	11
7	C	2
8	C	1
9	F	6
10	F	7
11	F	8
12	N	9
13	N	3
14	O	5
15	S	4
16	H	19
17	H	20
18	H	22
19	H	21
20	H	17
21	H	18
22	H	16


> <ALATIS_Mixture_Map>

$$$$
