
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.9927    5.3999    3.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865   -2.1946   -1.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192   -1.3154   -0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -2.9363   -2.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0527    4.3167    1.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4206    3.2116    1.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903   -1.9366   -1.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2434    1.8081    1.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    4.1828    2.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721   -1.1778   -0.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146   -2.8035   -2.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.9559    1.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709    2.9122    2.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.2727    0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036   -3.5221   -3.3518 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201    0.9021    0.5933 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    2.7498    3.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -0.6044    0.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658    5.1671    3.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685    6.1164    2.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    5.8728    3.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -2.3131   -1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.7758    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -3.6248   -3.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    5.2941    1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    3.3636    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0721   -1.8576   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147    0.8363    2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694    1.1203    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525    1.8244    3.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  2  1  0  0  0  0
  4 11  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8 12  2  0  0  0  0
  8 28  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12 16  1  0  0  0  0
 13  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 16 29  1  0  0  0  0
 17 13  1  0  0  0  0
 17 30  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z1430613393

>  <Barcode>
9990529581

>  <Well>
E03

>  <Plate_ID>
816280-04

>  <MW>
245.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	16
3	C	15
4	C	18
5	C	10
6	C	12
7	C	9
8	C	5
9	C	8
10	C	3
11	C	11
12	C	6
13	C	4
14	C	1
15	F	14
16	N	2
17	O	13
18	O	7
19	H	27
20	H	29
21	H	28
22	H	26
23	H	25
24	H	30
25	H	22
26	H	23
27	H	21
28	H	20
29	H	19
30	H	24


> <ALATIS_Mixture_Map>

$$$$
