
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -0.3063    3.6576   -2.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -0.2417   -1.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2722    3.2021    2.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772    1.8747    2.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4317    3.1797    1.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9131    1.4073    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002    2.7095   -0.3871 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2471    1.3593   -0.3261 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1590    3.8113   -0.9186 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685   -1.2546    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183    0.2078    1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150   -0.0747   -0.0025 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064    4.5352   -2.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    2.7915   -2.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    3.5910   -2.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    0.6437   -1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -0.3932   -2.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9547   -1.1196   -1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4288    4.0031    1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    3.4436    3.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.1132    2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3605    1.9784    2.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762    4.1830    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    2.5435    1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969    0.4279    0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825    2.0938    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8954    2.6267   -1.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737    1.1175   -1.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6629    4.6967   -0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  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
  3 20  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9  7  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z1259161657

>  <Barcode>
9990531652

>  <Well>
H05

>  <Plate_ID>
816280-06

>  <MW>
191.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	10
2	C	7
3	C	12
4	C	11
5	C	9
6	C	8
7	C	5
8	C	2
9	N	6
10	O	3
11	O	4
12	S	1
13	H	25
14	H	23
15	H	24
16	H	18
17	H	16
18	H	17
19	H	28
20	H	29
21	H	26
22	H	27
23	H	21
24	H	22
25	H	19
26	H	20
27	H	14
28	H	13
29	H	15


> <ALATIS_Mixture_Map>

$$$$
