
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.8175    7.9381    1.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3228    3.1658    1.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7093    4.1383    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    1.8900    1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    2.8621    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5497    4.2981    1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694    1.7485    0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1279    5.6347    1.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    0.0556   -1.5514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258    5.7908    1.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1901   -0.8568    0.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471    0.1360   -0.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918    6.6238    1.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9093    0.1375    0.0094 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013    8.0880    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579    8.1093    2.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    8.6568    0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2955    3.2755    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329    5.0001    0.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799    1.0216    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430    2.7478   -0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496   -0.6321   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619   -0.1066   -2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  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  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  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  3  2  0  0  0  0
  7 14  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10  8  2  0  0  0  0
 11 14  2  0  0  0  0
 12 14  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z18197050

>  <Barcode>
9990529569

>  <Well>
F10

>  <Plate_ID>
816280-04

>  <MW>
215.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
