
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
   -0.1371   -1.5297    2.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0162   -3.5176   -1.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140   -3.5472    1.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779    0.2421    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9668    0.9002   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1162   -1.5007   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753   -5.2742   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -0.7072    1.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.7310    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1189   -3.7808   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8907   -2.9471   -0.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -5.5803   -1.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4513    0.3696   -1.2510 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554   -2.1546    2.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709   -0.8770    3.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130   -2.1847    2.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -3.6775   -2.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116   -2.4971   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -4.1905   -1.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866   -3.7081    2.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259   -2.5348    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619   -4.2386    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300    0.4383    1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5805    1.6685   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6731   -1.2127   -0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078   -1.1882    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497   -5.9342    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -5.5074    0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479   -3.2132   -0.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -6.5063   -1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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 10  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 10  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  4  2  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 11 29  1  0  0  0  0
 12  7  1  0  0  0  0
 12 30  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z2856434821

>  <Barcode>
0110770227

>  <Well>
D04

>  <Plate_ID>
816280-08

>  <MW>
199.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H17NOS/c1-8-4-5-13-9(8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	10
2	C	12
3	C	13
4	C	5
5	C	4
6	C	7
7	C	11
8	C	2
9	C	1
10	C	8
11	N	6
12	O	9
13	S	3
14	H	20
15	H	22
16	H	21
17	H	25
18	H	27
19	H	26
20	H	28
21	H	29
22	H	30
23	H	15
24	H	14
25	H	17
26	H	18
27	H	23
28	H	24
29	H	16
30	H	19


> <ALATIS_Mixture_Map>

$$$$
