
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2561   -0.3516    1.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120    1.6487   -2.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1313   -5.1287   -0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0108   -3.8976   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -4.6631    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776   -2.7074   -0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412   -0.1950    0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1575    0.7576   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265   -1.1038    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165   -2.5522    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176   -0.5206   -0.9336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441   -3.2592   -0.0314 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848   -3.1292    0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208    1.3764   -0.0006 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2249    0.0443    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9466    0.2047    2.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147   -1.3888    2.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271    1.0843   -2.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572    2.4566   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    2.0872   -2.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792   -5.9800   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7326   -5.4295   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4756   -3.8625   -1.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8173   -3.8913   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2827   -4.7443    1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739   -5.2203    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8877   -2.2047   -1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4995   -1.9999    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z1497321453

>  <Barcode>
9990531735

>  <Well>
A09

>  <Plate_ID>
816280-06

>  <MW>
210.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
