
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -2.6127   -0.3323   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0689   -5.1128   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -2.3825    0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -0.3928   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0937   -2.7267    1.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291   -0.7234    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1377   -0.3934   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364   -1.2072    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146   -1.8875    0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110   -1.4188   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524   -0.7356    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -2.8135    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3877   -2.1950    0.9757 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -3.7042   -0.5981 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.5936   -0.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709   -3.1729    0.5172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012    0.7973   -0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9662    0.7057   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0178   -0.8493   -0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.7924    0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489   -5.2710   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785   -5.5782    0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430   -5.5613   -1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9834   -3.0263    1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907    0.5389   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451   -3.6281    1.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6342   -0.0659   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889   -3.3763   -1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  2  0  0  0  0
  4 25  1  0  0  0  0
  5  3  2  0  0  0  0
  5 26  1  0  0  0  0
  6  4  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 28  1  0  0  0  0
 15 11  2  0  0  0  0
 15 17  1  0  0  0  0
 16 12  2  0  0  0  0
 17  7  1  0  0  0  0
M  END
>  <ID>
Z363104204

>  <Barcode>
0110706263

>  <Well>
G01

>  <Plate_ID>
816280-07

>  <MW>
234.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11FN2O2/c1-7-10(12(16)14-2)11(15-17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	17
3	C	10
4	C	11
5	C	14
6	C	13
7	C	5
8	C	7
9	C	12
10	C	1
11	C	3
12	C	6
13	F	15
14	N	9
15	N	2
16	O	8
17	O	4
18	H	23
19	H	25
20	H	24
21	H	26
22	H	27
23	H	28
24	H	19
25	H	20
26	H	22
27	H	21
28	H	18


> <ALATIS_Mixture_Map>

$$$$
