
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.1533    1.3725   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6010   -1.6640   -0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449   -0.0934    0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1237   -0.5317   -1.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710    0.9988   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -2.2221    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -1.7289   -2.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    0.2006   -1.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1114   -1.4435   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -2.4735   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -0.3219   -0.3771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989   -1.4282   -0.0359 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6336   -3.5978   -0.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9602    0.7387   -0.6169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9525   -0.5693   -2.9144 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9066    1.3649   -2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.3635   -0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848    2.3051   -1.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1580   -1.6914    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7357   -2.6258   -0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    0.1043    0.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4164   -0.0827    1.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1910   -0.6704   -1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6001   -0.5073   -2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5060    1.9676    0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0432    1.0842   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548   -3.1973    0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -1.7398    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774   -2.5501   -2.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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 12  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  7 29  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z31720228

>  <Barcode>
9990531833

>  <Well>
A03

>  <Plate_ID>
816280-06

>  <MW>
226.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
