
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -2.1127   -3.8628    2.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455   -3.8636    2.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    2.8930   -2.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    4.3669   -2.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    1.8742   -1.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4226    3.3464   -1.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -2.6148    3.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6511   -1.9631    1.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472    4.1339   -2.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0510    2.0972   -1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745   -2.6105    2.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -0.0253   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369    5.1182   -3.4763 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413   -0.8177    0.6811 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4279    1.1176   -0.4942 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964   -0.3504   -0.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -1.8438    3.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917   -4.6735    3.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -4.6737    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    2.7169   -3.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659    5.3450   -2.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.9079   -1.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    3.5483   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7353   -2.1409    4.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -2.6465    0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4131   -1.6256    2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7216   -0.4211    1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4770    1.3480   -0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  2  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  2  0  0  0  0
  6 23  1  0  0  0  0
  7  1  2  0  0  0  0
  7 17  1  0  0  0  0
  7 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  4  2  0  0  0  0
 10 15  1  0  0  0  0
 11  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 27  1  0  0  0  0
 15 12  1  0  0  0  0
 15 28  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z44584202

>  <Barcode>
0110705931

>  <Well>
B04

>  <Plate_ID>
816280-01

>  <MW>
234.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11FN2O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
