
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -2.3047   -0.1411   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.4544   -4.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    0.4536   -3.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869    2.3993   -3.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    1.1876   -1.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605    2.9866   -2.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394    2.8428   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    2.0190   -1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111    0.9831   -1.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    2.5793    0.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6254    3.8817    0.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1915    2.1652   -1.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    2.0384    0.8007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162    1.4349   -0.4856 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6536   -0.7701    0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060   -0.6076   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2395    0.0369    0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6468    2.0300   -4.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5005    0.9263   -5.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143   -0.2069   -3.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332   -0.1869   -3.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5877    3.2252   -4.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679    1.8779   -4.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5514    0.4518   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349    1.8446   -2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    3.7752   -2.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2756    3.5151   -2.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4169    0.3289   -0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    3.8508   -0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z133622412

>  <Barcode>
0110705999

>  <Well>
E01

>  <Plate_ID>
816280-03

>  <MW>
221.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H15NO4S/c1-14(12,13)9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
