
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.8065    0.5549    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4588   -2.5854    0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564   -2.8083   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745   -2.4623    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653   -2.8657   -0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835   -2.5200    1.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   -1.2096    0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614   -2.6787    0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611   -2.5502    0.5082 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5002   -3.5678    1.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    1.3174    0.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196   -0.1772   -1.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245    0.1925    0.0130 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8887    0.5450    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0528    1.5497    0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -0.1572    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408   -2.5047    0.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4687   -2.9095   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1477   -2.2995    2.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140   -3.0063   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908   -2.4006    2.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864   -1.2352    0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265   -1.0069    2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -2.7220   -0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613   -4.0608    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  9 24  1  0  0  0  0
 10  9  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z822382694

>  <Barcode>
0110706008

>  <Well>
D09

>  <Plate_ID>
816280-03

>  <MW>
200.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
