
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7973    2.4148    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9508    2.9889   -1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -0.6336   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -0.0655   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -1.1794   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7518   -2.5854   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -2.8784    0.0086 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9050    0.7021   -0.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990    1.0236   -0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    4.3405   -1.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831   -3.4823   -0.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505    2.9765    0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7390    2.4892    0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.9649   -1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6911    2.4234   -1.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8428   -1.1670   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2997    0.0499    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073   -2.1771    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3445   -3.8545    0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922    4.6995   -2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 10 20  1  0  0  0  0
 11  6  2  0  0  0  0
M  END
>  <ID>
Z1562205518

>  <Barcode>
0110705767

>  <Well>
H08

>  <Plate_ID>
816280-02

>  <MW>
155.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
