
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -0.9918    1.3091   -0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641   -2.3415    1.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129   -1.2914    2.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.1767   -1.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870    2.8587   -0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716   -1.9211    1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776    0.3754    2.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5058   -0.0650    2.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.5110   -0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2589    0.8368    3.5819 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413   -0.4901    1.1944 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4514   -0.8962   -0.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962    0.5858    0.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706    0.1009    0.1043 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419    2.1618   -1.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313    1.2001    0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    0.4158   -1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353   -3.2774    2.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8256   -2.5376    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -1.5324    3.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737    2.5901   -2.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    1.7715   -2.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9568    2.9456    0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328    3.7211   -0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -2.0747    2.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222   -2.5472    0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    1.4210    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.3021    3.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  6  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  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>
Z2277255954

>  <Barcode>
0110706268

>  <Well>
F05

>  <Plate_ID>
816280-07

>  <MW>
219.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
