
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.7110    1.9763    1.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303   -4.7739    1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2242    1.6148   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -2.6353    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267   -0.0395    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946   -1.2659    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566    0.6801    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -3.4272    1.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    1.0675    0.0903 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030   -1.0197   -0.0360 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    2.6629    1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    2.4673    1.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330    1.0888    1.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -5.3497    1.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913   -5.2977    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -4.7648    1.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291    2.5298   -0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    1.1764   -0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0872   -2.5513   -0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824   -3.1283   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995    0.1090    0.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -2.9649    2.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  2  0  0  0  0
  8  4  1  0  0  0  0
  8 22  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <ID>
Z1267773633

>  <Barcode>
0110706315

>  <Well>
B04

>  <Plate_ID>
816280-07

>  <MW>
156.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H12N2S/c1-3-7-9-5-6(10-7)4-8-2/h5,8H,3-4H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
