
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.9415    3.8724   -6.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557    2.3390   -3.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923    0.2733   -4.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317    1.6125   -2.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634   -0.4466   -3.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0157    2.3705   -6.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904    1.6754   -4.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.2176   -2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105   -0.0483   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.7107    0.5054 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450   -1.0812    0.7866 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.6944   -7.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9153   -0.5995   -1.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7316    4.2130   -6.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    4.3896   -5.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331    4.1513   -6.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.4214   -3.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106   -0.2747   -5.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8715    2.1699   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568   -1.5337   -3.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351    0.5266   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z55671900

>  <Barcode>
9990531829

>  <Well>
A07

>  <Plate_ID>
816280-06

>  <MW>
186.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
