
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.5581    2.5584   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0863   -6.6264    2.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    0.0391   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561   -1.1059   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    1.3000    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3532   -2.3641   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4714   -3.0209    2.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760    1.3002    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5604   -5.2213    2.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430   -3.2765    1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.0251    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -4.5427    0.8890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -1.1207    0.0867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4507    0.0522    0.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969   -4.3752    3.4109 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    2.6728    0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371    2.5470   -1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166    3.4458   -0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -6.6567    2.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -7.1026    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -7.2203    2.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    0.0391   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -2.0608   -0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    2.2054    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233   -2.1502   -0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407   -2.8532   -0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078   -2.1233    2.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  9  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9 12  2  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z1134990241

>  <Barcode>
0110706013

>  <Well>
C11

>  <Plate_ID>
816280-03

>  <MW>
220.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N2OS/c1-8-3-4-13(11(14)5-8)6-10-7-15-9(2)12-10/h3-5,7H,6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
