
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5552    0.3005   -2.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165    4.8342   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953    4.5871    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236    3.5021   -1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259    3.0681    0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.4994   -1.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851    1.1389   -1.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1336    1.0225   -3.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278   -1.0758   -2.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    0.2829   -2.5507 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8781    1.3258   -3.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -0.3059   -3.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782   -0.1289   -2.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    5.6473   -1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    5.1008   -1.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532    5.0665    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    5.0036    0.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664    3.3770   -1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    3.4313   -2.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859    2.7608    1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    2.7239    0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950    2.4977   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910    0.5314   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <ID>
Z53825479

>  <Barcode>
0110705245

>  <Well>
D12

>  <Plate_ID>
816280-02

>  <MW>
163.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H13NO2S/c1-10(8,9)7-6-4-2-3-5-6/h6-7H,2-5H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
