
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.8825   -5.1350    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685   -4.2472    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -2.6652    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   -1.8703    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9087   -3.9942    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745   -3.1894    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4271   -1.6153    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6873   -3.4520    0.2029 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568    0.7307   -1.2117 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    0.0817   -0.1612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304    0.7131    1.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    0.0550    0.1347 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -5.7582   -0.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7721   -5.7463    0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -4.7785   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8471   -5.2659    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -2.4492    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702   -1.0656    0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    0.9571   -1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2970    1.5382   -0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  2  0  0  0  0
  4 18  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z1324080698

>  <Barcode>
9990531955

>  <Well>
G05

>  <Plate_ID>
816280-05

>  <MW>
189.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
