
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -5.0192   -1.2078   -0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -2.7203   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355    1.2104   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8287    0.9112   -0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326   -1.0797    0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548    0.2010   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2977   -0.3871    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -1.3610    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850   -0.4659    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -3.0209    1.2382 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7649    0.4700   -0.1584 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758   -1.3973   -0.4603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3033    0.4625    0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2758   -0.1458   -0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4237   -1.7716    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4681   -1.5544   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399   -2.7089   -1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544   -3.4073   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8277   -3.0765   -1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    2.2263   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418    1.7265   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915   -1.8289    0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  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  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID>
Z100642432

>  <Barcode>
0110706039

>  <Well>
A09

>  <Plate_ID>
816280-03

>  <MW>
246.08

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
