
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.0627    0.4247   -1.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    3.4511    1.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3303    3.1328    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8904    1.4228    0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2641    1.1110   -0.5254 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1756   -0.0130    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572   -0.3173   -0.5768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720    2.2414    1.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8468   -0.7110    0.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869    2.3235   -0.9566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -0.2829   -2.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    1.1344   -1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    0.9509   -2.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    4.0829    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952    4.0223    1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    2.6344    0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120    4.0675   -0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745    1.9776   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568    0.5032    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923    0.6748   -1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8583   -1.0607   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916    1.6891    2.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  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
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  7  6  1  0  0  0  0
  7 21  1  0  0  0  0
  8  4  1  0  0  0  0
  8 22  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID>
Z1636723439

>  <Barcode>
9990531993

>  <Well>
D10

>  <Plate_ID>
816280-05

>  <MW>
144.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H12N2O2/c1-7-6(9)5-4-8-2-3-10-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
