
    alatis_output_mol

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.1018   -1.7350   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1427    5.0772   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168    0.1479   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0095   -0.7239   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2935    1.3242   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8047    2.6811   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587    3.6699   -0.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715   -1.0183   -0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    2.9392   -0.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811    0.9510   -0.0071 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219   -2.3701   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -2.3701    0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954   -1.2753   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    5.5160   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081    5.5229    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181    5.2660   -0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995    0.0866   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    3.3834   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 18  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID>
Z969560582

>  <Barcode>
0110706027

>  <Well>
B04

>  <Plate_ID>
816280-03

>  <MW>
156.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
