
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
   -1.4317    3.5176    2.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864    3.3927    0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009    1.9806    1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014    2.1477    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360    0.7649    1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2869   -1.2963   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    3.3121    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532    0.0752   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919   -1.2958   -1.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595   -0.0675   -1.5380 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087   -1.9215   -2.4024 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9168   -1.9804   -0.6665 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144    0.9287    0.8173 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    0.3760   -0.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    3.4983    3.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0113    4.4898    3.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    2.7480    3.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536    3.5106   -0.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866    4.2839    1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9937    1.8756    1.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1472    2.0069   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928    2.2287    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    2.0629    2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.6513    2.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -0.1373    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874   -1.9096   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548   -1.7611    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9307    4.1297    0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  2  1  0  0  0  0
  7 28  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <ID>
Z316425948

>  <Barcode>
9990531669

>  <Well>
G03

>  <Plate_ID>
816280-06

>  <MW>
209.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14F3NO/c1-7-2-4-13(5-3-7)8(14)6-9(10,11)12/h7H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	11
3	C	12
4	C	7
5	C	6
6	C	4
7	C	13
8	C	1
9	C	3
10	F	8
11	F	9
12	F	10
13	N	2
14	O	5
15	H	27
16	H	28
17	H	26
18	H	21
19	H	22
20	H	23
21	H	24
22	H	19
23	H	20
24	H	17
25	H	18
26	H	15
27	H	16
28	H	25


> <ALATIS_Mixture_Map>

$$$$
