
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
   -0.4787   -2.6178    3.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754    0.0226   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6526   -1.3070   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493    1.2840    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996   -0.0016    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.3037   -1.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050   -1.2435    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    1.4344   -2.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273   -1.3137    1.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    2.4972   -1.7693 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    1.2050   -0.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977    0.6727   -3.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746   -0.4737    2.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800   -2.4697    2.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704   -1.8907    4.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -3.6241    4.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5146   -2.5054    4.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.0873   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783    0.1415    0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -1.5151   -1.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1834   -2.1368    0.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6463    1.4885    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1445    2.1529   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306   -0.0841   -0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4949    0.1200    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3682    0.4526   -2.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130    2.2117   -2.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510   -2.1137   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    2.9010   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499    2.5455   -1.9745 H   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  3  1  0  0  0  0
  7 28  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z2856434804

>  <Barcode>
9990529583

>  <Well>
E01

>  <Plate_ID>
816280-04

>  <MW>
200.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H16N2O3/c1-14-9(13)7-2-4-11(5-3-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	8
3	C	9
4	C	11
5	C	10
6	C	6
7	C	4
8	C	3
9	C	2
10	N	12
11	N	1
12	O	7
13	O	5
14	O	13
15	H	30
16	H	28
17	H	29
18	H	18
19	H	19
20	H	20
21	H	21
22	H	24
23	H	25
24	H	22
25	H	23
26	H	16
27	H	17
28	H	15
29	H	26
30	H	27


> <ALATIS_Mixture_Map>

$$$$
