
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.5346   -1.0652   -2.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5183    4.3595   -1.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472    3.7045   -3.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678    3.0072   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    2.3573   -3.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919    4.7184   -2.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774    2.0116   -1.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2271    6.1285   -3.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648    7.1399   -2.2687 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471    0.6393   -1.6105 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7269    6.3903   -4.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0501   -1.2355   -0.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    0.6660   -0.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -0.2337   -0.8155 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   -1.6098   -2.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2669   -1.7683   -1.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382   -0.3281   -2.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699    5.1045   -0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037    3.9624   -4.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807    2.7445   -0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    1.5937   -3.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3392    7.0292   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627    8.0792   -2.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3610    0.4228   -1.1964 H   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z45656995

>  <Barcode>
0110705978

>  <Well>
F03

>  <Plate_ID>
816280-03

>  <MW>
214.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
