
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.4216    0.5779   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387   -0.8098   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541    1.3363   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874   -1.4351   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871    1.4505    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    0.7964    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    0.7059    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948   -0.7054    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -0.5895   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7079   -1.3220   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -1.3503   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   -2.6890   -0.0509 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7904   -0.7433   -0.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7969   -3.4317   -0.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913    1.0688   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2451   -1.4101   -0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284    2.4218   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -2.5214   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1636    2.5374    0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    1.3539    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -3.1763   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4751   -2.7243   -0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 21  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <ID>
Z59181945

>  <Barcode>
9990531758

>  <Well>
A03

>  <Plate_ID>
816280-05

>  <MW>
188.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
