
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.2222    3.1340    4.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805    0.3140    6.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501   -0.9244    5.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -1.7622    3.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639   -1.5763    2.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398    1.5024    5.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.8261    2.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.6564    4.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831   -0.2788    1.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    0.6687    3.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551    0.2172    0.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    1.7466    4.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4937    1.2857   -0.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363   -1.2001   -0.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9989    0.0104   -0.0472 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343    3.6697    3.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2186    3.6249    5.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115    3.2534    3.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.5142    6.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411    0.1491    7.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8881   -1.2750    5.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2527   -1.7209    6.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -2.7735    3.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -2.4339    1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814    1.3269    5.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411    2.3808    6.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2386    1.8150    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    1.1974    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520   -0.4121   -0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 10  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z1367324110

>  <Barcode>
9990532010

>  <Well>
B03

>  <Plate_ID>
816280-05

>  <MW>
226.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
