
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2186   -3.6806   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707    0.0190    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    1.1495   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    2.8521    1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362    1.5738    3.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    1.6829    1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -0.9173    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -1.1895    0.0105 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    0.9691    2.2323 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0738    0.4452   -0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998   -1.9578   -1.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439   -2.0807    1.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888    3.0478    2.7367 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303   -2.1574   -0.0377 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -3.6959   -0.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -3.7638    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9363   -4.5033   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517    0.0851   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852    2.1212   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351    0.4926   -0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092    1.9791   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074    3.5726    0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6244    1.1704    4.1800 H   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  2  2  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  6 24  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z1328968520

>  <Barcode>
9990532005

>  <Well>
C03

>  <Plate_ID>
816280-05

>  <MW>
243.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
