
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.0602   -3.8284   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425   -1.5705   -1.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287   -2.2512   -2.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    0.1264    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2443    1.2758    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569   -1.7702   -1.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114   -1.0482    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -0.7524    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -2.7501   -0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085   -1.6117   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7102   -2.3360   -0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590   -3.9322   -0.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -1.2425   -0.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536   -2.9251    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    0.9480    0.0750 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741   -4.8479    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5776   -3.7258   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468   -3.6517    0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333   -0.5655   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5612   -2.1877   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -3.3176   -2.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707   -1.7048   -3.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0702    0.1328    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5820    2.2930    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9701   -0.9166   -1.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868   -3.1032    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  6  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 11 26  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z109092588

>  <Barcode>
0110705860

>  <Well>
H05

>  <Plate_ID>
816280-01

>  <MW>
225.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11NO3S/c1-14-10(13)8-7(4-5-15-8)11-9(12)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
