
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.4858    1.5764   -2.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8587    2.2665    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8569   -2.2234    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601   -3.6807   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    1.8268   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475    0.9576    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -3.0933    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    0.7670    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    1.7478   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189   -1.2785    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8975   -0.2194    0.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728   -2.6266   -0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -4.3035    0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    2.9488   -0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977    1.1261   -0.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5524   -0.9078    0.1405 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3278    2.0318   -2.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    1.9804   -2.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4753    0.4998   -2.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9438    2.1290    0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854    2.8178   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963    2.8778    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120   -2.5876    1.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7293   -2.3487    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563   -1.1649    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -3.3081   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -4.3214    0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -4.2880   -1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5050    1.4067   -0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610    2.8946   -0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <ID>
Z1230032143

>  <Barcode>
9990529607

>  <Well>
C01

>  <Plate_ID>
816280-04

>  <MW>
242.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)11-10(16-8)12(4)7(3)13/h5H2,1-4H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	13
3	C	14
4	C	12
5	C	15
6	C	5
7	C	8
8	C	2
9	C	7
10	C	1
11	N	4
12	N	6
13	O	10
14	O	9
15	O	11
16	S	3
17	H	29
18	H	30
19	H	28
20	H	20
21	H	21
22	H	22
23	H	24
24	H	25
25	H	23
26	H	17
27	H	19
28	H	18
29	H	26
30	H	27


> <ALATIS_Mixture_Map>

$$$$
