
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.4781   -2.9516    0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0279    1.0978    0.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -3.4305   -1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -3.0119   -2.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890   -0.8051   -1.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011   -2.4732   -0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631    0.9832    0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153   -1.1225   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2094   -1.7182   -2.4160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -0.1297    0.1121 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    1.8278    1.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7954   -2.1435    1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214   -3.6643    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708   -3.4385    0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205    1.8892    0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181    1.3443    1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    0.1629    0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494   -4.4919   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191   -3.7297   -2.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129    0.2262   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671   -0.2661    0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  3  2  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  2  0  0  0  0
 10 21  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z1129283193

>  <Barcode>
0110705791

>  <Well>
F08

>  <Plate_ID>
816280-02

>  <MW>
150.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
