
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.4568    0.0312   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -1.2413   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7113    1.3297    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4717    0.0460    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7298   -1.2253    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340   -1.3684    1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382    1.2717   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    2.3911    0.1215 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    1.2708   -1.6416 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3008   -2.5086    2.3950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -0.5390    2.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -0.0489   -1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.0837    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381   -1.3640   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -2.0982    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    1.5465    1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    2.1639   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    0.0134   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.1191    1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441   -2.1004   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364   -3.3008    1.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093   -2.6505    3.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  2  1  0  0  0  0
  5 20  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  2  0  0  0  0
M  END
>  <ID>
Z1526748660

>  <Barcode>
0110705848

>  <Well>
A08

>  <Plate_ID>
816280-02

>  <MW>
163.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
