
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5545    1.6242   -1.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    1.2708    0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -3.9832    3.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3019   -3.0002    3.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689   -3.7242    2.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -1.7534    2.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -2.4805    2.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147   -1.4855    2.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648   -2.2285    1.8631 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5681   -0.2174    1.7940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479    0.2683   -0.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177   -1.3034   -0.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.1319    0.1401 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2259    2.4877   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126    1.8729   -1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957    0.7890   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284    1.0114    0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5363    2.1142    0.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -4.9524    4.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696   -3.2088    4.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -4.4807    2.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -0.9998    2.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216    0.0443    1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z53825177

>  <Barcode>
9990531938

>  <Well>
H03

>  <Plate_ID>
816280-05

>  <MW>
203.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
