
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   -1.1369   -1.1795    1.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -2.5922    0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713   -0.9154   -2.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7642    0.3597   -2.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043   -0.1930   -1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362   -0.7541   -3.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9478   -0.0066   -3.4330 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146   -1.2342    0.9472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727    1.2685    0.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.1669   -0.1059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594    0.0145   -0.0082 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4177   -0.2201    1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984   -1.3364    0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -1.9579    1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -3.0020   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -3.2489    1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004   -2.6039    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8829   -1.4925   -2.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    1.0054   -1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361   -1.1245   -4.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  8  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  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  4  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <ID>
Z805551440

>  <Barcode>
0110705833

>  <Well>
B02

>  <Plate_ID>
816280-02

>  <MW>
175.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
