
    alatis_output_mol

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.5501   -3.3074    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585   -1.8274    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308   -2.7923    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -0.7597    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779   -0.0066    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -1.4475    0.0663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3806   -1.1432    0.1237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061    1.1915   -0.1389 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -3.5385    0.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315   -0.0595    0.0762 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0356    0.9288   -0.1828 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560   -2.5543   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026   -4.1725   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8546   -3.6020    1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8452   -2.2837   -0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527   -2.3214    0.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3427   -1.9787    0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8902   -0.9058   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  7  1  0  0  0  0
  6  4  1  0  0  0  0
  6 18  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <ID>
Z26804467

>  <Barcode>
9990531941

>  <Well>
H06

>  <Plate_ID>
816280-05

>  <MW>
189.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
