
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.8452   -0.1389    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7099   -2.1871   -1.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7856   -3.5897    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1048   -2.1526   -1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1809   -3.5593    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214   -2.8738   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9927   -1.4533   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -2.8921   -0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8282   -2.8364   -0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1668   -2.7965   -0.6778 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928   -1.4453   -0.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    0.6407    1.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388    0.8307   -1.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972    0.1412    0.0102 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3221    0.8328    0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249   -0.7743    1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2206   -0.5987   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546   -1.6471   -2.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2934   -4.1510    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6281   -1.5914   -2.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7710   -4.0892    1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171   -3.2934   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722   -3.5294    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714   -0.8126   -1.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -1.0452    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735   -1.9969    0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3 19  1  0  0  0  0
  4  2  2  0  0  0  0
  4 20  1  0  0  0  0
  5  3  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z45705015

>  <Barcode>
0110705799

>  <Well>
E09

>  <Plate_ID>
816280-02

>  <MW>
217.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	5
2	C	12
3	C	13
4	C	10
5	C	11
6	C	14
7	C	9
8	C	7
9	C	6
10	F	8
11	N	4
12	O	2
13	O	3
14	S	1
15	H	16
16	H	18
17	H	17
18	H	23
19	H	24
20	H	21
21	H	22
22	H	25
23	H	26
24	H	19
25	H	20
26	H	15


> <ALATIS_Mixture_Map>

$$$$
