
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.8065   -1.3649    1.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885    0.0181   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025   -1.2061   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446    1.3339    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4815    0.0909    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892    2.1146   -1.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406    2.2494   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7043   -1.2089    0.2899 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7459    1.2691   -0.3241 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    3.1985   -2.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    3.2033   -1.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3307   -0.5529    2.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3462   -2.3083    2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580   -1.4169    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028   -0.0648   -1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073    0.0623    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982   -1.3547   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -2.0682    0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1755    2.1696   -0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259    1.5237    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277    0.2073    1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    0.0287   -0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866    1.1955   -2.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636    2.0903   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    3.6313   -2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
 10  6  1  0  0  0  0
 10 25  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z228585842

>  <Barcode>
0110705219

>  <Well>
H11

>  <Plate_ID>
816280-03

>  <MW>
158.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)7(11)6-10/h10H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
