
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.6841    4.2365    4.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814   -3.5311   -3.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9427   -2.4006   -3.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.8901   -1.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491   -1.6071   -2.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073    0.1901    1.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5017    2.1986    1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614    0.8985    2.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    2.8990    2.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201    0.8412    1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995    2.2575    3.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -3.1201   -0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703   -1.9589   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799    0.1855   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926   -3.4695    0.4243 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9050   -1.1957   -0.1559 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    0.8926   -1.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8434    2.8343    4.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4202    4.5649    4.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8815    4.7916    3.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    4.4628    4.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1656   -4.1282   -3.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341   -2.1295   -4.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860   -4.7540   -1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7799   -0.7296   -2.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -0.8516    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    2.7216    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939    0.3932    3.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0940    3.9473    2.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -1.6638    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
  9  7  2  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 30  1  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z28290321

>  <Barcode>
0110705956

>  <Well>
H05

>  <Plate_ID>
816280-03

>  <MW>
245.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H12FNO2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	18
3	C	17
4	C	15
5	C	14
6	C	7
7	C	8
8	C	12
9	C	11
10	C	4
11	C	10
12	C	6
13	C	3
14	C	1
15	F	9
16	N	2
17	O	5
18	O	13
19	H	26
20	H	27
21	H	28
22	H	30
23	H	29
24	H	25
25	H	24
26	H	20
27	H	21
28	H	23
29	H	22
30	H	19


> <ALATIS_Mixture_Map>

$$$$
