
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.4530   -5.1584   -1.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1187    1.3676   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0908   -3.8090   -1.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853   -6.0614   -1.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    0.3138    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    0.7315    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5271   -4.2585   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026   -1.8854   -1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -3.3420   -1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -5.6040   -0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928   -6.4761    0.5485 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013   -1.0326   -0.0896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4120   -0.7874   -1.6667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -1.8452    0.6213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0993   -0.9000   -0.2590 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340   -5.4987   -2.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607    2.2928    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    1.6196   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015   -3.1182   -2.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0804   -7.1133   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0204    0.5037   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6403    0.3577    1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    0.6394    1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607    1.2476    0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964   -3.9420    0.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787   -1.8411   -0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974   -1.4626   -2.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z729352906

>  <Barcode>
9990530734

>  <Well>
B11

>  <Plate_ID>
816280-06

>  <MW>
229.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
