
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.4566    1.4085   -2.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339   -3.3739   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2393    0.6484    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341    1.3368   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2278   -0.7400    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    1.3261   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    0.6071   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -1.3911    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    0.9763   -1.5139 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775   -0.7518   -0.0993 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -2.7704    0.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2858    2.4899   -2.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483    1.1767   -3.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    0.8950   -2.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -3.0519    0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935   -3.1752   -1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -4.4563    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788    1.1898    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246    2.4217   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486   -1.3081    0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490    2.4132   -0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136    1.0447    0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2514   -0.0442   -1.5300 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
  1 14  1  0  0  0  0
  2 11  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  4  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  3  1  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
  9 23  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <ID>
Z1603775714

>  <Barcode>
0110770233

>  <Well>
D10

>  <Plate_ID>
816280-08

>  <MW>
152.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
