
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9579    2.8682   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5900    2.3428   -0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1626   -0.7393    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    0.6526   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9764   -1.4744    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    1.3650   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -0.7695    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2852    0.6276   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459    0.2067   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    1.4551   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    1.1647   -0.0457 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    0.2974   -0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732    2.5350   -0.6539 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7933    1.2152   -0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490   -1.3838    0.1012 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4784    3.2299    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773    3.2344   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497    3.2949   -0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417    2.0712   -0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4192    2.5955   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3767    3.2011   -0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1177   -1.2608    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0813    1.1983   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9949   -2.5597    0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568   -0.5336    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  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  7  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 12 25  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z192981502

>  <Barcode>
0110770199

>  <Well>
G01

>  <Plate_ID>
816280-08

>  <MW>
222.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10N2O2S/c1-6-4-3-5-7-8(6)11-9(15-7)12-10(13)14-2/h3-5H,1-2H3,(H,11,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
