
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.4464    1.3644   -3.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449    0.2407   -4.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232    1.5456   -2.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343   -3.9005   -0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337   -3.2331    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739   -2.5727   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -1.9029    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -0.6593   -4.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3432   -4.2333   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5389   -1.5762    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5422    0.5803   -2.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7272   -5.5757    0.0675 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156   -0.5159   -3.2613 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041    0.6765   -1.4577 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724    0.8171    1.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300    0.1271    0.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0873    0.1093    0.0394 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2439    2.0863   -3.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0525    0.0662   -5.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5926    2.4003   -2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997   -4.6743   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922   -3.4823    0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3592   -2.3280   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450   -1.1383    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976   -1.5495   -4.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334   -5.7080    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2882   -6.1767   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0383    1.5163   -1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 18  1  0  0  0  0
  2  1  1  0  0  0  0
  2  8  2  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9  5  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 11  2  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <ID>
Z271004858

>  <Barcode>
0110705886

>  <Well>
F07

>  <Plate_ID>
816280-01

>  <MW>
249.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
