
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.5958   -0.1641   -3.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8969   -1.2814    0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136   -0.1621   -2.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6283   -0.6890   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5006    1.9152    2.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    0.8391    2.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -0.6654   -1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    0.2706   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556    0.4384    1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436    1.6781    1.4881 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498   -0.2420    0.2018 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    1.3625    0.1048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032   -0.4917    1.7720 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574    0.5420   -2.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093    0.1362   -4.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530   -1.1617   -3.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680   -0.7374    1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -2.3328    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686   -1.2277    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -0.7928   -3.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139    0.8574   -2.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0427    0.3265   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858   -1.2762   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478    2.8950    2.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    0.7795    3.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343   -1.6851   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814   -1.1893   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6  5  2  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 11 27  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z28173817

>  <Barcode>
9990529612

>  <Well>
B05

>  <Plate_ID>
816280-04

>  <MW>
198.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14N2OS/c1-3-7(4-2)8(12)11-9-10-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
