
    alatis_output_mol

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0798    1.3607    3.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -0.9535    3.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    0.2465    4.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996    0.2823    5.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4803    0.0855    1.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9863   -0.0141    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.1955   -0.4271 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859   -0.6033   -0.7010 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -0.7483    0.0275 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769    1.3646    6.3321 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700    1.3126    2.1664 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1598   -1.0639    2.2400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503   -0.6468    6.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819    2.3651    3.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -1.8951    3.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.0379    6.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    1.3143    7.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  4  2  0  0  0  0
M  END
>  <ID>
Z1745658474

>  <Barcode>
9990529576

>  <Well>
E08

>  <Plate_ID>
816280-04

>  <MW>
191.11

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
