
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.5877    1.2474    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.0196    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044    1.2934    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022   -1.1661    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570    0.1072   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.1358   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193    0.2183   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857   -2.8726    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9806   -1.9400    1.3311 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -3.5878   -0.0866 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120   -3.7203    1.3685 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323   -0.5370   -1.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6051    1.2085    0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4869   -2.3271   -0.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609    2.1697    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3258   -0.0179    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2851    2.2667   -0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325   -2.1148   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455    1.6359    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  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
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 13 19  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID>
Z2856434778

>  <Barcode>
0110770210

>  <Well>
F11

>  <Plate_ID>
816280-08

>  <MW>
206.12

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
