
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2782    4.7865    2.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    4.8440    1.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204    3.5879    2.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0819    3.6915    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    1.1696    1.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    2.4158    1.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658    2.4628    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585    1.1900   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    1.8511   -0.1063 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168   -0.1151   -0.7872 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6949    1.6580   -1.9608 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    0.8031    3.3599 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3618    1.2770    0.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4949    5.6767    2.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    5.7895    0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476    3.5582    3.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165    3.7904   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    0.3133    1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4831    1.3622    1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9714   -0.0161    3.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.5230    3.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  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  5  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z2856434776

>  <Barcode>
0110706240

>  <Well>
H01

>  <Plate_ID>
816280-07

>  <MW>
191.15

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	13
3	C	11
4	C	10
5	C	9
6	C	4
7	C	3
8	C	1
9	F	5
10	F	6
11	F	7
12	N	8
13	O	2
14	H	20
15	H	21
16	H	19
17	H	18
18	H	16
19	H	17
20	H	14
21	H	15


> <ALATIS_Mixture_Map>

$$$$
