
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
   -7.4987    3.1592   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.8278    0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    2.8641    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171    0.6510   -0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722    2.9954   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3057    0.7808   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631    1.5959   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399    1.6993   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9413    1.9536   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170    2.0714   -0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0768    2.9289    0.0362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9789    1.4167   -1.6905 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136   -0.3424    1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593    2.0414    2.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319    0.9947    1.1683 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6591    4.2317   -0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9585    2.6093   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9484    2.8519    0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921    1.8046    0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390    0.1151    0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1434    0.4568    1.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061    3.6900    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505   -0.2736   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6275    3.9337    0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909   -0.0347   -1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    0.9045   -1.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8231    2.5742   -0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5841    3.3235    0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  2  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 24  1  0  0  0  0
  6  4  2  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7 15  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 28  1  0  0  0  0
 12 10  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z30272045

>  <Barcode>
0110705224

>  <Well>
A07

>  <Plate_ID>
816280-01

>  <MW>
227.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO3S/c1-11-10(12)9-5-3-8(4-6-9)7-15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
