
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.3586    1.1966    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973   -0.0197    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481   -4.9471    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160   -4.2452   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391   -3.6083    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246   -2.9066   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669    0.9700   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023   -6.7203   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242   -5.2811   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -2.5644    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -1.1474    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804   -7.5340    0.7306 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107   -0.6936   -0.2351 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800    2.1857    0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1576   -0.0591    0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4591   -5.7352    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4173   -4.4676   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413   -3.4008    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7381   -2.1330   -0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    1.7017   -0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9312   -6.7878   -0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530   -7.1249   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005   -8.4786    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4109   -7.1653    1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  2  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  2  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  1  2  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9  3  2  0  0  0  0
 10 11  1  0  0  0  0
 12  8  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <ID>
Z2856434805

>  <Barcode>
9990531972

>  <Well>
E12

>  <Plate_ID>
816280-05

>  <MW>
189.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
