
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.1533    0.1299    1.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096   -0.7149    9.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    0.5269    8.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224   -1.6424    8.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    0.8373    7.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602   -1.3243    6.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -0.7764    4.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    1.5273    4.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -0.5186    3.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    1.7978    3.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -0.0823    6.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561    0.2298    5.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    0.7672    2.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959    1.0193    1.1941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790    1.7637   -0.6704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5396    2.6184    1.6581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1273    1.5605    0.7616 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613   -0.7117    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1758   -0.0944    2.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1629    0.3688    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -0.9599   10.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    1.2576    9.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730   -2.6135    8.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078    1.8127    7.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7913   -2.0676    6.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954   -1.7897    4.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    2.3489    5.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -1.3350    2.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707    2.8086    2.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    0.4938    0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5 11  2  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  8 27  1  0  0  0  0
  9 13  2  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <ID>
Z45641455

>  <Barcode>
0110770198

>  <Well>
G02

>  <Plate_ID>
816280-08

>  <MW>
247.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13NO2S/c1-17(15,16)14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
