
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.7248    1.4284    0.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4981   -2.0220    0.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -2.5225    1.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -0.6454    0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -1.6535    1.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239    0.2132    1.3612 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6229    0.2172    0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -0.2745    1.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6174   -0.4055    2.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8095    1.5392    0.8399 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -1.2245    2.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1351    0.0462    3.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042    0.6432    1.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7678    1.1623    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128    2.2136    1.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918    1.8590    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3070   -2.7040    0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -3.5955    1.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6153   -0.2415    0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188   -2.0889    1.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9123   -0.5168    0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    0.6612    3.6115 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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 12 22  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
>  <ID>
Z65532537

>  <Barcode>
0110705800

>  <Well>
E08

>  <Plate_ID>
816280-02

>  <MW>
184.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
