
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.1567    4.1260   -1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3037    0.4013   -2.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    4.7574   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    5.1880   -0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535    3.3955   -0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    2.8894   -0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108    4.2569   -0.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8856    2.4675   -1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    4.7638   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5821    1.0799   -1.1248 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016    5.9467   -0.8557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294   -0.9141   -2.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    1.3722   -3.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855    3.7321   -1.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    0.4520   -2.6955 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390    4.6674   -0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3439    4.7335   -1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7643    3.2190   -1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781    1.4187   -3.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -0.0835   -2.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140   -0.1845   -3.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    5.4846   -0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811    6.2538   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1885    3.0665   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118    2.1547   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    0.4591   -0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  7  6  2  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11  9  2  0  0  0  0
 12 15  2  0  0  0  0
 13 15  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z24758179

>  <Barcode>
0110770204

>  <Well>
F05

>  <Plate_ID>
816280-08

>  <MW>
229.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
