
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.8784    1.9747    0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057   -6.5948   -1.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832   -5.1846   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373    0.7592    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963   -3.7908    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838   -1.4448    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -2.7936   -0.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408    0.7485   -0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393   -0.5391   -0.2343 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -3.6596    0.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981   -5.2545   -1.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013   -0.7971    0.4292 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158    1.7357    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886    2.5253   -0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4787    2.6306    1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383   -7.2496   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252   -6.9563   -0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -6.6101   -2.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667   -5.4012    0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022   -5.9037   -0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -3.0518   -0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  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
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  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
  3 20  1  0  0  0  0
  4  8  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
>  <ID>
Z263785508

>  <Barcode>
0110706022

>  <Well>
C02

>  <Plate_ID>
816280-03

>  <MW>
187.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O2S/c1-4-8-9-6(12-4)7-5(10)3-11-2/h3H2,1-2H3,(H,7,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
