
    alatis_output_mol

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.8192   -3.6613   -2.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689   -3.6643   -0.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221   -1.1540    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913    0.6804    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916   -0.7257    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1928   -1.5224   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914   -0.0286    0.0784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748    1.1064    0.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.0340   -0.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9186   -2.8589   -0.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946   -2.6430   -2.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283   -4.0333   -2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -4.2838   -2.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403   -4.6787   -0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610   -3.3183   -0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.1410    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6937    1.4083    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1041    0.0404    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <ID>
Z1124201124

>  <Barcode>
9990531985

>  <Well>
D02

>  <Plate_ID>
816280-05

>  <MW>
140.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
