
    alatis_output_mol

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.6945   -5.1135   -0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748    0.7558   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490   -0.6660   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609    1.4658   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8777   -3.6249   -0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -1.4902   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832    0.6558    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2126   -0.7953    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353   -2.8963   -0.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728    1.0116    0.1466 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4589   -1.2824    0.1858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6705   -3.1496   -1.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2893   -0.1734    0.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533   -5.3711    0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1376   -5.4904   -1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -5.5865   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.3202   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1376   -1.1239   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127    2.5472   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1738   -3.3502    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  6  2  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
  9 20  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <ID>
Z2027158783

>  <Barcode>
0110770202

>  <Well>
F03

>  <Plate_ID>
816280-08

>  <MW>
177.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
