
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.2769   -1.8984    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    2.6828   -1.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    0.8150   -2.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0569    1.7288   -1.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416   -0.1181   -2.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429    2.2864   -2.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    0.3288   -1.4739 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268    2.5866   -4.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1165    0.4862    0.9977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.1674    0.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030   -0.1990    0.1149 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7787   -1.9262   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101   -2.3420    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8880   -2.4360   -0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441    2.6872   -0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706    3.6974   -1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.5250   -3.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110    0.6829   -1.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6384    2.0191   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5234    1.7868   -2.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791   -0.1630   -3.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -1.1392   -2.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426    2.9019   -2.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485    2.0344   -4.2483 H   0  0  0  0  0  0  0  0  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
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <ID>
Z1247413608

>  <Barcode>
9990531959

>  <Well>
G01

>  <Plate_ID>
816280-05

>  <MW>
179.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
