
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.7815   -0.2906   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716   -0.6120   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362    1.6513    1.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3436   -0.3866    0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378    1.5664    1.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -0.4628    0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7518    0.5274    1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4179    0.7915    0.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915    0.6827    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    0.5276    0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788   -0.0341    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.1944    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5750    0.8823    0.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275    0.5363    0.9421 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153   -0.9118   -0.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519    0.9021    1.5540 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6949   -0.6453   -0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2533   -1.2449   -1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7291    2.4871    2.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9102   -1.1645   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757    2.3440    2.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -1.3202   -0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5943    0.9198    1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    1.2150    1.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
  6 22  1  0  0  0  0
  7  1  2  0  0  0  0
  7 16  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 13  8  3  0  0  0  0
 14 12  1  0  0  0  0
 14 24  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z30612387

>  <Barcode>
0110705947

>  <Well>
A05

>  <Plate_ID>
816280-01

>  <MW>
228.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H8N2OS/c13-8-9-3-5-10(6-4-9)14-12(15)11-2-1-7-16-11/h1-7H,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
