
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.1749   -3.1364    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934   -2.6393   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529   -0.3356   -0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818   -2.4272    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    0.9584   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211    2.1203   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554    1.0194    0.7594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -0.1939    1.0437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401   -1.0126    0.0386 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5077    2.1055   -2.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892    3.2496   -0.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159   -3.0344    1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5499   -2.7222    2.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134   -4.2051    1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8004   -2.2164    0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7146   -2.1622   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5328   -3.7071   -0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.7966   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -2.8629   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888    3.0445    0.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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  4  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  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <ID>
Z2510259379

>  <Barcode>
0110705815

>  <Well>
D08

>  <Plate_ID>
816280-02

>  <MW>
155.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O2/c1-4(2)9-3-5(6(10)11)7-8-9/h3-4H,1-2H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
