
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -4.8192   -4.9459   -1.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849   -5.5189   -1.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6018   -2.0009    1.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4362   -2.6907    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315   -2.2866    1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074   -3.6848   -0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2469   -2.6396   -0.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1133   -1.9703   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9754   -3.9610   -1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -3.2709    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361   -4.0063   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166   -2.8039   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -2.4084    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765   -3.4414    0.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -1.2329    0.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -5.0020   -1.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4405   -4.4231   -0.4557 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2043   -5.6987   -2.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5063   -5.4568   -1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4056   -4.4382   -2.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022   -4.7470   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133   -6.0193   -0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503   -6.2822   -2.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9965   -1.2369    1.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962   -2.4558    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018   -1.7360    1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -4.2116   -1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836   -2.1516   -0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0733   -0.9088    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0991   -4.3173   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  2  0  0  0  0
  8 29  1  0  0  0  0
  9  7  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 30  1  0  0  0  0
 15 13  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z27797417

>  <Barcode>
0110705885

>  <Well>
F06

>  <Plate_ID>
816280-01

>  <MW>
247.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13NO2S/c1-9-7-8-12(17-9)13(15)14-10-5-3-4-6-11(10)16-2/h3-8H,1-2H3,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
