
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -0.6539   -2.5583   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3132   -0.7380    1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8524   -0.9841    0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879    0.7645    1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991    1.5209   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -0.0980   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3761   -1.0997   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    0.4305   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692    0.6633   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329    1.3439    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4055    0.7185   -0.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -0.6569   -0.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    2.5769    0.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    1.4342   -0.0206 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -3.1373   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2300   -2.8556    0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326   -2.8159   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0565   -1.0401    0.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6013   -1.1413    2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1595   -1.0976    1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093   -1.8153   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104    1.1550    1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7893    1.4169    0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253    2.1748   -0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114    2.1444    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -0.1923   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2852    0.3973   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3076   -0.2891   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  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
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 11 28  1  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z212122838

>  <Barcode>
9990531988

>  <Well>
D05

>  <Plate_ID>
816280-05

>  <MW>
210.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2OS/c1-7-6-14-9(12-7)5-11-10(13)8-3-2-4-8/h6,8H,2-5H2,1H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
