EOS102510
    alatis_output_mol

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1530    2.4520   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6510    0.3250   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8430   -1.0740   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -1.8680   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -2.4420    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1140    1.1900   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3590   -0.9720    0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -0.4860   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -1.6330    0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    0.2190    0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620    0.3200    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6170   -0.2380    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1130   -0.1770    0.3680 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240    1.8350   -0.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1600    1.2140    1.9930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720    1.6910   -0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710    0.8080    0.6310 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 16  1  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 14  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <ID>  (1) 
EOS102510

>  <Supplier>  (1) 
SIA Enamine

>  <Supplier_ID>  (1) 
Z45537422

> <ALATIS_Standard_InChI>
InChI=1S/C12H17NO3S/c1-16-11-8-4-5-9-12(11)17(14,15)13-10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
