
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.8243    0.3353    2.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    1.0918    3.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157   -0.8913   -3.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5259   -1.3968   -3.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142   -0.0451   -2.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400   -0.5823    1.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    0.9632    2.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514   -1.0722   -2.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706    0.2899   -1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -0.2443   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440    0.1797    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -1.5918   -1.7329 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.1465   -0.8515 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    0.1926    1.2068 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1014    0.5918    0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188   -0.2075    3.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066    1.0463    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358    2.1421    3.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6123    0.6597    4.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.1398   -4.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945   -2.0393   -3.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3747    0.3717   -3.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192   -1.4836    2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939   -0.8944    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390    1.9349    2.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009    0.4131    2.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  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  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5  9  2  0  0  0  0
  5 22  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z54226006

>  <Barcode>
0110705971

>  <Well>
G05

>  <Plate_ID>
816280-03

>  <MW>
211.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
