
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7186   -0.9098    1.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758    0.2707    0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281    1.1003   -2.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    2.8538   -1.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    0.8606   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490    2.4669   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539    2.5221   -2.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5709    3.5190   -2.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476    1.0951    0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509    4.3777   -1.2656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193    3.3767   -2.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763   -0.6090   -1.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -1.2159    1.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2526   -0.2590    0.1418 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -1.7539    1.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870   -1.2624    0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5838   -0.6229    1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298    0.7223    1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2464    1.0062    0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130    0.3991   -2.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8893    0.8903   -2.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6679    2.3300   -2.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440    3.9266   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8056    1.5288   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4120   -0.1585   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239    2.6098    0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766    3.1478    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    2.6150   -3.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5086    2.6774   -3.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 14  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  9  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  3  1  0  0  0  0
  7  4  1  0  0  0  0
  7 28  1  0  0  0  0
  8  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  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>
Z53825020

>  <Barcode>
9990531992

>  <Well>
D09

>  <Plate_ID>
816280-05

>  <MW>
221.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
