
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.4318   -5.0881    1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    0.5440    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714    1.3171   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071   -0.8370    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313   -3.6014    1.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772    0.6992   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503   -1.4642    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3113   -0.6857    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -1.3183    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    1.4709   -0.2007 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -2.8695    0.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044   -3.1273    1.9411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433   -2.4156    0.6291 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408   -0.6486   -0.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919   -5.3462    0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6545   -5.5504    2.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215   -5.4765    0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    1.0073    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416    2.3949   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217   -1.4237    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1592   -3.2838    0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    0.2320   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  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  2  0  0  0  0
  2 18  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  2  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11 21  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <ID>
Z1229798311

>  <Barcode>
0110706038

>  <Well>
A10

>  <Plate_ID>
816280-03

>  <MW>
197.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
