
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.4134   -0.6172   -2.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610   -3.8700   -0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851   -4.8134   -1.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533   -3.0296   -3.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700   -1.5362    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462   -2.0628   -2.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8628   -2.4857   -0.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3219   -4.3838   -2.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277   -5.2846   -3.9255 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221   -2.7220    0.3740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920   -0.5651   -0.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -0.6597    1.6643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995   -1.2098    0.3541 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757   -0.5251   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827   -0.0353   -1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457   -0.1773   -2.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -4.2235    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8932   -5.8746   -1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   -2.7378   -4.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -1.9533    1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573   -0.5657    0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3445   -2.9197   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822   -2.7855    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  2  2  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z1849009686

>  <Barcode>
0110705761

>  <Well>
H02

>  <Plate_ID>
816280-02

>  <MW>
203.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10FNO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
