
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.0049    1.1910   -3.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2022   -0.7322    0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0598   -1.7383    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7489    0.6897    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310   -1.3147    1.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5502    1.0818    1.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    0.1729   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624    0.1199    1.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905    1.4498   -1.8663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968    2.1208    0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0768    2.6989   -0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0145    1.7786   -0.4303 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6521    2.0405   -3.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3393    1.0347   -3.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035    0.2861   -2.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0187   -1.0181    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6056   -0.7623    2.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7879   -1.8599   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   -2.7195    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    1.3865    0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4995    0.7738   -0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163   -2.0286    1.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778   -1.3762    2.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    1.0730    2.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    2.1149    1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100   -0.0849   -0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665   -0.5343   -0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6007    0.3957    2.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4647    2.1580   -1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  7  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z1003207278

>  <Barcode>
9990531671

>  <Well>
G01

>  <Plate_ID>
816280-06

>  <MW>
191.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
