
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.0172    2.4083   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3084    0.0270   -2.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200    0.1660   -1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1334    1.0550   -3.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733    2.3675   -1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644    1.4690    0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530    1.3342   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2533    2.2173   -2.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    3.2066   -2.7429 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    1.0458    1.9373 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263    1.4027    0.6811 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5097    0.3724    3.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    2.8221    2.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579    1.4632    2.2479 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1074    2.3216   -0.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815    2.2350   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    3.4251    0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070   -0.8851   -3.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830   -0.6449   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6850    0.9577   -3.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7011    3.2896   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3702    2.4099    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493    0.6533    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6764    0.0444    1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    1.2798    2.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  4  8  2  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z300245038

>  <Barcode>
0110705979

>  <Well>
F04

>  <Plate_ID>
816280-03

>  <MW>
218.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
