
    alatis_output_mol

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.0556    0.8119   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2347   -0.5574    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674    1.3612   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344   -1.4091    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    1.2980   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802   -1.1434    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4781    1.2871   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569   -1.0667   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    0.5218   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516   -0.8448    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -0.1111    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6905    0.9153   -0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601   -0.0047    0.1136 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3867    0.1705   -1.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681   -1.6242    0.2114 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9226    1.4637   -0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2399   -0.9730    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281    2.4305   -0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689   -2.4790    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1091    1.4695    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243    2.1348   -0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883   -2.1187    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4174   -1.0772    0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854    2.1979   -1.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197    1.2580   -2.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3842   -1.8844   -1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0531   -1.1557   -2.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  2  0  0  0  0
 10 15  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <ID>
Z56767623

>  <Barcode>
0110705921

>  <Well>
C07

>  <Plate_ID>
816280-01

>  <MW>
220.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
