
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.2487   -4.0446   -1.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905   -0.0082    0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423   -0.9927   -0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874   -0.8501    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614   -2.3915   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -2.6399   -1.3743 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5805   -2.3427   -1.2871 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3572   -3.3878   -0.6104 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -1.0405    0.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681    1.4771    0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941    0.2640   -1.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1976    0.3057   -0.1397 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   -4.1832   -2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -4.8270   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038   -4.1965   -2.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.8322   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2358   -0.9235   -0.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694   -0.0701    1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -0.1853   -1.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9164   -0.8563   -0.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874    0.1237    1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327   -1.5932    1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -3.1320    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402   -2.5328   -0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -1.9520   -2.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -2.2755   -2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -3.6241    0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464   -4.2423   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 12  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  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  5  1  0  0  0  0
  6 25  1  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  7 26  1  0  0  0  0
  8  7  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z1346370629

>  <Barcode>
0110706292

>  <Well>
D05

>  <Plate_ID>
816280-07

>  <MW>
192.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
