
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    6.5876    1.5523   -5.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0968    2.5300   -4.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7166    0.6234   -5.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7346    2.5747   -4.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3538    0.6663   -5.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4259   -0.0276    0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556    1.1407    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    1.3219   -1.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -1.3339   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736   -0.1853   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    1.4402   -2.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593    1.6336   -4.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541    1.1869   -0.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551   -1.3131    0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213    1.6604   -4.1686 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6484    1.5175   -5.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7727    3.2625   -3.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0970   -0.1341   -6.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665    3.3550   -3.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860   -0.0623   -5.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4670    0.0646    1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.0760   -0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2228    1.9859   -0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6474    1.2771    1.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2842    0.4928   -2.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612    2.2393   -2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -2.1771    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854   -1.5256   -1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637   -0.1868    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249   -0.3184   -1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423    2.2908   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004    0.5320   -2.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4 12  2  0  0  0  0
  4 19  1  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  6  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10  7  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11  8  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <ID>
Z2856434865

>  <Barcode>
0110706255

>  <Well>
G09

>  <Plate_ID>
816280-07

>  <MW>
223.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	13
3	C	14
4	C	12
5	C	11
6	C	7
7	C	8
8	C	6
9	C	10
10	C	9
11	C	5
12	C	4
13	N	1
14	O	2
15	S	3
16	H	32
17	H	30
18	H	31
19	H	29
20	H	28
21	H	20
22	H	21
23	H	22
24	H	23
25	H	18
26	H	19
27	H	26
28	H	27
29	H	24
30	H	25
31	H	16
32	H	17


> <ALATIS_Mixture_Map>

$$$$
