
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -5.4752    0.5753    1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3063   -0.6503    1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142   -0.6721    1.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    1.7387    1.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271    0.4823    1.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9901    0.5654    1.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769    0.5210    1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2558    1.7507    1.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8823    2.9330    1.2758 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576    0.3879    3.0920 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -0.5367    4.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633    1.9631    3.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983    0.6057    3.2934 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8644    1.5912    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7340    0.0150    0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9761    0.1188    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8539   -1.5904    1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4092   -1.6341    1.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3405    2.6893    1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -0.4554    1.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    1.3192    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -0.2937    3.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430    1.2858    3.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  3  2  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  2  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  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>
Z1703168683

>  <Barcode>
0110705832

>  <Well>
B01

>  <Plate_ID>
816280-02

>  <MW>
203.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
