
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.3952   -3.0556   -2.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    1.0501   -2.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8823   -4.0667   -0.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435   -4.1296   -1.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664   -2.8418   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934   -2.9654   -1.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082   -1.6820   -0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072   -1.7411   -1.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336   -0.6310   -1.5906 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768    0.9199   -1.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5078   -0.3211    0.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055    0.2997    0.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -0.1567   -0.0270 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775   -2.0786   -2.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -3.4499   -3.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870   -3.7182   -2.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385    1.3593   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651    1.8300   -2.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442    0.1149   -2.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4538   -4.9759   -0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163   -5.0947   -1.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145   -2.8034    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532    1.7686   -1.1022 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 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10 13  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>
Z1639162606

>  <Barcode>
0110705792

>  <Well>
F09

>  <Plate_ID>
816280-02

>  <MW>
203.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
