
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.7330    2.5006    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -7.7572    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684   -0.0645    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634   -4.8856    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706    1.0498    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -1.1579    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4913   -5.6300    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -2.5811    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565   -3.4478    0.0130 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088   -0.7212    0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5907   -5.0900    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760   -2.9721    0.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -6.9750    0.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8331    0.6635    0.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089    2.7025   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030    2.9720    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2982    2.9713   -0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1868   -8.8136    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0593   -7.5619   -0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595   -7.5538    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479   -0.1046   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4040   -5.1506    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032   -5.1589   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -3.0641    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 24  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z375990520

>  <Barcode>
0110706326

>  <Well>
A10

>  <Plate_ID>
816280-07

>  <MW>
198.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
