
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -4.2890   -2.0527    2.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476   -2.4486    2.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4223    0.0179   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -1.2100   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -0.8880    3.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407    1.3648    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5565   -0.0293    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -1.3082    1.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801   -1.4942    2.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   -1.1547    0.3003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692    2.5732    0.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8499    1.4822   -1.8404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6668   -0.5383    3.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401    1.4898   -0.3896 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2465   -2.5514    2.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0390   -3.3116    1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -0.0173    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4455   -0.0646   -1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538   -2.1367    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -1.3002   -1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4689   -0.2184    4.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983    2.1797   -0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553    1.5230    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935    0.0476    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5444   -0.1146   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170   -2.1998    2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219   -0.4600    2.2850 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
  2  9  2  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  1  2  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6 14  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 14  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z2856434926

>  <Barcode>
0110706247

>  <Well>
H08

>  <Plate_ID>
816280-07

>  <MW>
215.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
