
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -2.3822    5.0721   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    3.3765   -2.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -0.0824    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955    3.9332    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422    2.3084   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220   -1.2584    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730    2.4810    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    0.6850   -1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    1.0636   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713    4.7635   -2.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2329    2.6110   -0.0828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2921    4.8824   -2.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736   -1.0001   -1.1797 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3006    5.2510   -0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8557    5.9907   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342    3.1109   -3.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    3.3851   -2.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166   -0.0361    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7803    3.8829    0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2761    4.1697    1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    1.3344   -1.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310    2.1863   -1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013   -2.2582    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756    2.7354    1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353    3.1667   -0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    1.3230   -1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721    5.5133   -2.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6946    4.2169   -1.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  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 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  3  2  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
 10  2  1  0  0  0  0
 10 27  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 12 28  1  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z2856434899

>  <Barcode>
0110706034

>  <Well>
B11

>  <Plate_ID>
816280-03

>  <MW>
197.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
