
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.4232    5.0110   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186    0.2240   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815   -1.0662   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9073    1.1515   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    3.8490   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4782    1.3461   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577   -0.1422   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -1.2383   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387   -0.2768   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856   -2.4888   -0.0570 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950    2.6162   -0.0738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386    4.0578   -0.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6899   -0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4158   -1.5381   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    4.6879   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451    5.6188    0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1457    5.6124   -1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006    0.3354   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322   -1.9356   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930    1.9950    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    2.6195   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -2.2488   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  2  2  0  0  0  0
  3  8  1  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 11  1  0  0  0  0
  6  4  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
 11 21  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <ID>
Z364321922

>  <Barcode>
0110705984

>  <Well>
F09

>  <Plate_ID>
816280-03

>  <MW>
197.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
