
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.4141   -1.6028   -1.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019   -0.5987    3.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993   -0.7955    4.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8088   -0.2513    2.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -0.4725    2.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9191   -0.8938   -1.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468   -2.1094   -2.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -0.9436    4.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.2421    1.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -1.2042    5.6978 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528   -1.1555   -0.8282 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742   -1.7948   -2.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032    1.3700   -0.2649 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5203    0.0560    0.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.1522    0.1313 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5323   -0.8407   -2.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -2.5317   -2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861   -1.8416   -1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599   -0.5971    3.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -0.9370    4.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672    0.0288    1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671   -0.3825    2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802   -0.0599   -2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986   -0.5918   -0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9856   -2.3924   -2.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880   -2.9671   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -1.6057    5.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.7388    6.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123   -2.5655   -2.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  9  2  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  6  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9 15  1  0  0  0  0
 10  8  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z1673618163

>  <Barcode>
9990529536

>  <Well>
H01

>  <Plate_ID>
816280-04

>  <MW>
230.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
