
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -1.1913    0.0166    1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -0.7340   -1.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1834   -2.1226   -1.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302   -1.6591   -2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -3.0310   -2.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    1.5376    1.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -0.9945   -0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6110   -2.8043   -2.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.0802    3.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -0.0994    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424   -3.7002   -3.6487 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1711    0.4510    1.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    1.8257    4.2942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914   -0.2259    3.4063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175    0.0937    0.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778    0.8327    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648   -0.2078    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4786   -0.8853    0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    0.1742   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701   -2.3019   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086   -1.4977   -2.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -3.9166   -2.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5991    1.9671    1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763    2.3156    1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350   -0.6152    2.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  2  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 14 25  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z85895198

>  <Barcode>
9990531825

>  <Well>
A01

>  <Plate_ID>
816280-05

>  <MW>
211.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
