
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.0969    1.5951   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043   -1.6156    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580   -2.6149   -1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257    0.6734   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666   -0.6683   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -1.0836    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713    1.1663   -0.1736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077    0.0778    0.0691 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3502   -3.3870   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8676   -2.2287   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087    1.4082    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7178    1.4625   -0.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    2.6418   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0529   -2.1597    1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -1.0685    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -3.2986   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1771   -2.1023   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180    1.9655    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1794    0.0853   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103   -4.0685   -1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  2  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  7 18  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8 19  1  0  0  0  0
  9  3  1  0  0  0  0
  9 20  1  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <ID>
Z1259155959

>  <Barcode>
0110705967

>  <Well>
G09

>  <Plate_ID>
816280-03

>  <MW>
142.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
