
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
   -4.5364    1.1044   -2.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7598    1.0147   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753    1.2542    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181    1.1650    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -1.1585    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    0.0914    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453   -0.0936   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530   -1.2451    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9154   -0.2342   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735    0.1815    0.0634 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -2.4695   -0.0268 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5092   -1.2945   -0.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4731    0.9960   -0.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4826    1.1364   -2.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9565    2.0032   -2.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9477    0.2515   -2.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2912    1.9019   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3656    0.1398   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691    2.2216    0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3997    2.0842   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3398   -2.0594    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 13  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  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  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z53836105

>  <Barcode>
0110706296

>  <Well>
D09

>  <Plate_ID>
816280-07

>  <MW>
186.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8F2O2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
