
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.8958    0.1743   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6126    1.2229   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835    1.1309   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706   -1.1832   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007    0.0657   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139   -0.1211   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -1.2694   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8996   -0.1631   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722   -2.4946   -0.0682 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5118   -1.3836   -0.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5680    0.8642   -0.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2007    0.6392   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.7759    0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -0.8103   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    2.2064   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3787    2.0430   -0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3508   -2.1017   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0008   -2.2579   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217   -1.4083   -0.1370 H   0  0  0  0  0  0  0  0  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
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  4  2  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <ID>
Z1343633025

>  <Barcode>
9990531958

>  <Well>
G02

>  <Plate_ID>
816280-05

>  <MW>
153.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
