
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.0291    3.8965    1.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288   -0.8953    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838    1.3545    3.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    0.0307    3.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    2.2169    3.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090   -0.4225    2.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    1.7962    1.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    0.4509    1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.6845    1.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.8504   -1.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603   -1.3513   -0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -0.2345   -0.0593 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    3.6585    2.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    4.4697    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    4.5493    2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2561   -0.1031    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221   -1.7192    1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.2610   -0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768    1.7314    4.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2300   -0.6396    4.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    3.2505    3.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3916   -1.4572    2.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6899    2.3438    0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z285782452

>  <Barcode>
9990531936

>  <Well>
H01

>  <Plate_ID>
816280-05

>  <MW>
185.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
