
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5780    0.6986   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -3.3776    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1684   -0.6917   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611    0.6748   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254   -1.3638   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    0.5767    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    1.2774    0.1714 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1162    1.3244   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -0.7620    0.0248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541   -2.7446    0.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710   -0.3799   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5777    0.8942   -1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740    1.1639   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7981   -3.0709    0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787   -3.1887   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548   -4.4575    0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198   -1.2033   -0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9423    1.3075   -0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102    2.2377   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  8  2  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7  6  1  0  0  0  0
  7 19  1  0  0  0  0
  8  6  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID>
Z281802060

>  <Barcode>
9990531962

>  <Well>
F03

>  <Plate_ID>
816280-05

>  <MW>
139.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
