
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.2360    0.5762   -2.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -0.0976   -1.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1918   -0.9090   -0.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7876    1.0471    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8198   -1.1797   -0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4172    0.7764    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    0.2979   -1.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -1.2154   -1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514   -1.6990   -0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6630    0.2002   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9242   -0.3400   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5577   -1.9088   -0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9777    0.4553   -0.2527 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717   -0.9999   -1.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -2.9288    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633   -0.4988   -0.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.6449   -2.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0932    0.1039   -3.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429   -0.4856   -2.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    0.6137   -1.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8943   -1.5575   -1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1753    1.9079    0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4885   -2.0538   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7306    1.4349    0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280    1.0186   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    0.3048   -2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -2.2091   -1.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679   -1.1658    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5579   -2.5643   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055   -1.7157   -1.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  2  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10  4  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <ID>
Z19735067

>  <Barcode>
0110705913

>  <Well>
D10

>  <Plate_ID>
816280-01

>  <MW>
223.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
