
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.6660    1.7131   -1.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902    2.6937    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1491    0.1224   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -1.0765    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776   -1.6743    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322    1.3974   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -3.1405    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    0.6215   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.1581   -0.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464   -0.7590    0.0318 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.9185    0.9039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841   -3.5639   -1.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904    2.3004   -1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8982    2.2846   -1.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    0.7942   -2.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    3.2379    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916    2.4857    1.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3376    3.3604    0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2179    0.2937   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642   -2.0872    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550   -1.4603    0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982   -1.4534   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196    0.8045    0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -2.8578   -1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  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
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <ID>
Z2446040567

>  <Barcode>
0110705840

>  <Well>
B09

>  <Plate_ID>
816280-02

>  <MW>
168.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N2O2/c1-6(2)8-9-3-4-10(8)5-7(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
